6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

C12H19ClN8 — CID 63330863

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCc2nncn2C)n1
InChIInChI=1S/C12H19ClN8/c1-4-21(5-2)12-17-10(13)16-11(18-12)14-7-6-9-19-15-8-20(9)3/h8H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyMAXQVSUVMGSPPC-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.15
Rot. Bonds7

About 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 63330863) has the molecular formula C12H19ClN8 and a molecular weight of 310.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID63330863
Molecular FormulaC12H19ClN8
Molecular Weight310.79 g/mol
Exact Mass310.14
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCc2nncn2C)n1
InChIInChI=1S/C12H19ClN8/c1-4-21(5-2)12-17-10(13)16-11(18-12)14-7-6-9-19-15-8-20(9)3/h8H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyMAXQVSUVMGSPPC-UHFFFAOYSA-N
XLogP1.15
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
2-N,2-N,6-N-trimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80829386
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N-diethyl-4-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863799
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194548

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 63330863) is 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCCc2nncn2C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MAXQVSUVMGSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN8/c1-4-21(5-2)12-17-10(13)16-11(18-12)14-7-6-9-19-15-8-20(9)3/h8H,4-7H2,1-3H3,(H,14,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 310.79 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63330863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).