2-ethynylimino-5-methylpyridin-1-amine

C8H9N3 — CID 170150974

IUPAC2-ethynylimino-5-methylpyridin-1-amine
SMILESC#C/N=c1\ccc(C)cn1N
InChIInChI=1S/C8H9N3/c1-3-10-8-5-4-7(2)6-11(8)9/h1,4-6H,9H2,2H3/b10-8+
InChIKeyMNPXGCMSKKSBHI-CSKARUKUSA-N
MW147.18 g/mol
LogP0.00
Rot. Bonds

About 2-ethynylimino-5-methylpyridin-1-amine

2-ethynylimino-5-methylpyridin-1-amine (PubChem CID 170150974) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-ethynylimino-5-methylpyridin-1-amine.

Molecular Properties

Compound Name2-ethynylimino-5-methylpyridin-1-amine
PubChem CID170150974
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-ethynylimino-5-methylpyridin-1-amine
SMILESC#C/N=c1\ccc(C)cn1N
InChIInChI=1S/C8H9N3/c1-3-10-8-5-4-7(2)6-11(8)9/h1,4-6H,9H2,2H3/b10-8+
InChIKeyMNPXGCMSKKSBHI-CSKARUKUSA-N
XLogP0.00
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-ethynylimino-5-methylpyridin-1-amine?
The IUPAC name of 2-ethynylimino-5-methylpyridin-1-amine (CID 170150974) is 2-ethynylimino-5-methylpyridin-1-amine.
What is the SMILES notation for 2-ethynylimino-5-methylpyridin-1-amine?
The canonical SMILES for 2-ethynylimino-5-methylpyridin-1-amine is C#C/N=c1\ccc(C)cn1N.
What is the InChIKey of 2-ethynylimino-5-methylpyridin-1-amine?
The InChIKey is MNPXGCMSKKSBHI-CSKARUKUSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-10-8-5-4-7(2)6-11(8)9/h1,4-6H,9H2,2H3/b10-8+.
What are the key properties of 2-ethynylimino-5-methylpyridin-1-amine?
2-ethynylimino-5-methylpyridin-1-amine has a molecular weight of 147.18 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylimino-5-methylpyridin-1-amine is sourced from PubChem (CID 170150974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).