6-chloro-N-prop-2-ynylpyrazin-2-amine

C7H6ClN3 — CID 107268148

IUPAC6-chloro-N-prop-2-ynylpyrazin-2-amine
SMILESC#CCNc1cncc(Cl)n1
InChIInChI=1S/C7H6ClN3/c1-2-3-10-7-5-9-4-6(8)11-7/h1,4-5H,3H2,(H,10,11)
InChIKeyUWNHCNTVZNDKRQ-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.18
Rot. Bonds2

About 6-chloro-N-prop-2-ynylpyrazin-2-amine

6-chloro-N-prop-2-ynylpyrazin-2-amine (PubChem CID 107268148) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 6-chloro-N-prop-2-ynylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-prop-2-ynylpyrazin-2-amine
PubChem CID107268148
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name6-chloro-N-prop-2-ynylpyrazin-2-amine
SMILESC#CCNc1cncc(Cl)n1
InChIInChI=1S/C7H6ClN3/c1-2-3-10-7-5-9-4-6(8)11-7/h1,4-5H,3H2,(H,10,11)
InChIKeyUWNHCNTVZNDKRQ-UHFFFAOYSA-N
XLogP1.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-prop-2-ynylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390
6-chloro-N-propylpyrazin-2-amine
CID 26370207
1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
CID 116650911
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068
6-chloro-N-methylpyrazin-2-amine
CID 26967011
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
CID 79350173
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
2-(6-chloropyrazin-2-yl)-1,1-dimethylhydrazine
CID 83020356
(E)-N'-(6-chloropyrazin-2-yl)but-2-ene-1,4-diamine
CID 116650934
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-prop-2-ynylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-prop-2-ynylpyrazin-2-amine (CID 107268148) is 6-chloro-N-prop-2-ynylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-prop-2-ynylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-prop-2-ynylpyrazin-2-amine is C#CCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-prop-2-ynylpyrazin-2-amine?
The InChIKey is UWNHCNTVZNDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-2-3-10-7-5-9-4-6(8)11-7/h1,4-5H,3H2,(H,10,11).
What are the key properties of 6-chloro-N-prop-2-ynylpyrazin-2-amine?
6-chloro-N-prop-2-ynylpyrazin-2-amine has a molecular weight of 167.60 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-prop-2-ynylpyrazin-2-amine is sourced from PubChem (CID 107268148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).