2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine

C12H19Cl2N9O — CID 87296700

IUPAC2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
SMILESCCNc1nc(Cl)nc(NCC)n1.NC(=O)CCl.c1ncncn1
InChIInChI=1S/C7H12ClN5.C3H3N3.C2H4ClNO/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-4-2-6-3-5-1;3-1-2(4)5/h3-4H2,1-2H3,(H2,9,10,11,12,13);1-3H;1H2,(H2,4,5)
InChIKeyDRMDHJXGGZBMCY-UHFFFAOYSA-N
MW376.25 g/mol
LogP0.97
Rot. Bonds5

About 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine

2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine (PubChem CID 87296700) has the molecular formula C12H19Cl2N9O and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine.

Molecular Properties

Compound Name2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
PubChem CID87296700
Molecular FormulaC12H19Cl2N9O
Molecular Weight376.25 g/mol
Exact Mass375.11
IUPAC Name2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
SMILESCCNc1nc(Cl)nc(NCC)n1.NC(=O)CCl.c1ncncn1
InChIInChI=1S/C7H12ClN5.C3H3N3.C2H4ClNO/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-4-2-6-3-5-1;3-1-2(4)5/h3-4H2,1-2H3,(H2,9,10,11,12,13);1-3H;1H2,(H2,4,5)
InChIKeyDRMDHJXGGZBMCY-UHFFFAOYSA-N
XLogP0.97
TPSA144.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine with MolForge

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Related Compounds

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1H-1,2,4-triazol-5-amine
CID 6440128
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-(3,4-dichlorophenyl)carbamate
CID 27378837
[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine?
The IUPAC name of 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine (CID 87296700) is 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine.
What is the SMILES notation for 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine?
The canonical SMILES for 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine is CCNc1nc(Cl)nc(NCC)n1.NC(=O)CCl.c1ncncn1.
What is the InChIKey of 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine?
The InChIKey is DRMDHJXGGZBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5.C3H3N3.C2H4ClNO/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-4-2-6-3-5-1;3-1-2(4)5/h3-4H2,1-2H3,(H2,9,10,11,12,13);1-3H;1H2,(H2,4,5).
What are the key properties of 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine?
2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine has a molecular weight of 376.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine is sourced from PubChem (CID 87296700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).