azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine

C35H47Cl6N19 — CID 160905603

IUPACazane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine
SMILESCN(CCCN)c1ccccc1.Cc1nc(Cl)nc(Cl)n1.Cc1nc(N)nc(Cl)n1.Cc1nc(N)nc(NCCCN(C)c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.N
InChIInChI=1S/C14H20N6.C10H16N2.C4H3Cl2N3.C4H5ClN4.C3Cl3N3.H3N/c1-11-17-13(15)19-14(18-11)16-9-6-10-20(2)12-7-4-3-5-8-12;1-12(9-5-8-11)10-6-3-2-4-7-10;2*1-2-7-3(5)9-4(6)8-2;4-1-7-2(5)9-3(6)8-1;/h3-5,7-8H,6,9-10H2,1-2H3,(H3,15,16,17,18,19);2-4,6-7H,5,8-9,11H2,1H3;1H3;1H3,(H2,6,7,8,9);;1H3
InChIKeyRIWQDKPHDBTNGC-UHFFFAOYSA-N
MW946.61 g/mol
LogP7.07
Rot. Bonds10

About azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine

azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine (PubChem CID 160905603) has the molecular formula C35H47Cl6N19 and a molecular weight of 946.61 g/mol. Its IUPAC name is azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Nameazane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine
PubChem CID160905603
Molecular FormulaC35H47Cl6N19
Molecular Weight946.61 g/mol
Exact Mass943.24
IUPAC Nameazane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine
SMILESCN(CCCN)c1ccccc1.Cc1nc(Cl)nc(Cl)n1.Cc1nc(N)nc(Cl)n1.Cc1nc(N)nc(NCCCN(C)c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.N
InChIInChI=1S/C14H20N6.C10H16N2.C4H3Cl2N3.C4H5ClN4.C3Cl3N3.H3N/c1-11-17-13(15)19-14(18-11)16-9-6-10-20(2)12-7-4-3-5-8-12;1-12(9-5-8-11)10-6-3-2-4-7-10;2*1-2-7-3(5)9-4(6)8-2;4-1-7-2(5)9-3(6)8-1;/h3-5,7-8H,6,9-10H2,1-2H3,(H3,15,16,17,18,19);2-4,6-7H,5,8-9,11H2,1H3;1H3;1H3,(H2,6,7,8,9);;1H3
InChIKeyRIWQDKPHDBTNGC-UHFFFAOYSA-N
XLogP7.07
TPSA286.25 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.61
LogP ≤ 57.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine (CID 160905603) is azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine is CN(CCCN)c1ccccc1.Cc1nc(Cl)nc(Cl)n1.Cc1nc(N)nc(Cl)n1.Cc1nc(N)nc(NCCCN(C)c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.N.
What is the InChIKey of azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is RIWQDKPHDBTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.C10H16N2.C4H3Cl2N3.C4H5ClN4.C3Cl3N3.H3N/c1-11-17-13(15)19-14(18-11)16-9-6-10-20(2)12-7-4-3-5-8-12;1-12(9-5-8-11)10-6-3-2-4-7-10;2*1-2-7-3(5)9-4(6)8-2;4-1-7-2(5)9-3(6)8-1;/h3-5,7-8H,6,9-10H2,1-2H3,(H3,15,16,17,18,19);2-4,6-7H,5,8-9,11H2,1H3;1H3;1H3,(H2,6,7,8,9);;1H3.
What are the key properties of azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine?
azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 946.61 g/mol, XLogP of 7.07, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloro-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;6-methyl-2-N-[3-(N-methylanilino)propyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N'-phenylpropane-1,3-diamine;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 160905603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).