2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine

C10H14N6 — CID 62678116

IUPAC2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(-c2cc(C)ncn2)n1
InChIInChI=1S/C10H14N6/c1-3-4-8-14-10(11)16(15-8)9-5-7(2)12-6-13-9/h5-6H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyNAFCZTTXNLELOD-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds3

About 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine

2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine (PubChem CID 62678116) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine
PubChem CID62678116
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine
SMILESCCCc1nc(N)n(-c2cc(C)ncn2)n1
InChIInChI=1S/C10H14N6/c1-3-4-8-14-10(11)16(15-8)9-5-7(2)12-6-13-9/h5-6H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyNAFCZTTXNLELOD-UHFFFAOYSA-N
XLogP0.90
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine (CID 62678116) is 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine is CCCc1nc(N)n(-c2cc(C)ncn2)n1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine?
The InChIKey is NAFCZTTXNLELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-4-8-14-10(11)16(15-8)9-5-7(2)12-6-13-9/h5-6H,3-4H2,1-2H3,(H2,11,14,15).
What are the key properties of 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine?
2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)-5-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 62678116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).