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

C10H14ClN7 — CID 55124342

IUPAC4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCC(C)Nc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-7(2)14-9-15-8(11)16-10(17-9)18-6-12-5-13-18/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyDXPACJOAEHUOJA-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.71
Rot. Bonds5

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

4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 55124342) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID55124342
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCC(C)Nc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-7(2)14-9-15-8(11)16-10(17-9)18-6-12-5-13-18/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyDXPACJOAEHUOJA-UHFFFAOYSA-N
XLogP1.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 55124342) is 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCC(C)Nc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DXPACJOAEHUOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-3-4-7(2)14-9-15-8(11)16-10(17-9)18-6-12-5-13-18/h5-7H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 267.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).