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

C10H14ClN7 — CID 62870174

IUPACN-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCCN(C)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-5-17(2)9-14-8(11)15-10(16-9)18-7-12-6-13-18/h6-7H,3-5H2,1-2H3
InChIKeyWTTLJKBDZHVLEB-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.34
Rot. Bonds5

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

N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62870174) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62870174
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC NameN-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCCN(C)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-5-17(2)9-14-8(11)15-10(16-9)18-7-12-6-13-18/h6-7H,3-5H2,1-2H3
InChIKeyWTTLJKBDZHVLEB-UHFFFAOYSA-N
XLogP1.34
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62870174) is N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCCN(C)c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WTTLJKBDZHVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-3-4-5-17(2)9-14-8(11)15-10(16-9)18-7-12-6-13-18/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 267.72 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).