7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H14N4 — CID 106231156

IUPAC7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(CC)Nc1nc2cc(C)ccn2n1
InChIInChI=1S/C12H14N4/c1-4-10(5-2)13-12-14-11-8-9(3)6-7-16(11)15-12/h1,6-8,10H,5H2,2-3H3,(H,13,15)
InChIKeyKAXAENZMNWPOPT-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.86
Rot. Bonds3

About 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106231156) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106231156
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(CC)Nc1nc2cc(C)ccn2n1
InChIInChI=1S/C12H14N4/c1-4-10(5-2)13-12-14-11-8-9(3)6-7-16(11)15-12/h1,6-8,10H,5H2,2-3H3,(H,13,15)
InChIKeyKAXAENZMNWPOPT-UHFFFAOYSA-N
XLogP1.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136
2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114009070
2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114010695
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332664
6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106231512
7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83025761
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-2-carboxamide
CID 110471213
6-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-2-carboxamide
CID 110472187
7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688541

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106231156) is 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CC(CC)Nc1nc2cc(C)ccn2n1.
What is the InChIKey of 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KAXAENZMNWPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-4-10(5-2)13-12-14-11-8-9(3)6-7-16(11)15-12/h1,6-8,10H,5H2,2-3H3,(H,13,15).
What are the key properties of 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106231156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).