5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C9H9N5 — CID 645877

IUPAC5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC#CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C9H9N5/c1-3-4-10-8-5-7(2)13-9-11-6-12-14(8)9/h1,5-6,10H,4H2,2H3
InChIKeyHAZOXDXUMHSVOH-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.48
Rot. Bonds2

About 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 645877) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID645877
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC#CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C9H9N5/c1-3-4-10-8-5-7(2)13-9-11-6-12-14(8)9/h1,5-6,10H,4H2,2H3
InChIKeyHAZOXDXUMHSVOH-UHFFFAOYSA-N
XLogP0.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 645877) is 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C#CCNc1cc(C)nc2ncnn12.
What is the InChIKey of 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HAZOXDXUMHSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-3-4-10-8-5-7(2)13-9-11-6-12-14(8)9/h1,5-6,10H,4H2,2H3.
What are the key properties of 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 187.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-ynyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 645877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).