4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C8H7Cl2N7 — CID 106195533

IUPAC4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESC=C(Cl)CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C8H7Cl2N7/c1-5(9)2-12-7-14-6(10)15-8(16-7)17-4-11-3-13-17/h3-4H,1-2H2,(H,12,14,15,16)
InChIKeyWGDYBPASFBBXAQ-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.27
Rot. Bonds4

About 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 106195533) has the molecular formula C8H7Cl2N7 and a molecular weight of 272.10 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID106195533
Molecular FormulaC8H7Cl2N7
Molecular Weight272.10 g/mol
Exact Mass271.01
IUPAC Name4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESC=C(Cl)CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C8H7Cl2N7/c1-5(9)2-12-7-14-6(10)15-8(16-7)17-4-11-3-13-17/h3-4H,1-2H2,(H,12,14,15,16)
InChIKeyWGDYBPASFBBXAQ-UHFFFAOYSA-N
XLogP1.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 106195533) is 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is C=C(Cl)CNc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WGDYBPASFBBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N7/c1-5(9)2-12-7-14-6(10)15-8(16-7)17-4-11-3-13-17/h3-4H,1-2H2,(H,12,14,15,16).
What are the key properties of 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 272.10 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106195533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).