6-chloro-N-hex-5-ynylpyrazin-2-amine

C10H12ClN3 — CID 103757390

IUPAC6-chloro-N-hex-5-ynylpyrazin-2-amine
SMILESC#CCCCCNc1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-5-6-13-10-8-12-7-9(11)14-10/h1,7-8H,3-6H2,(H,13,14)
InChIKeyNTVNAFFBCZDWKG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.35
Rot. Bonds5

About 6-chloro-N-hex-5-ynylpyrazin-2-amine

6-chloro-N-hex-5-ynylpyrazin-2-amine (PubChem CID 103757390) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-N-hex-5-ynylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-hex-5-ynylpyrazin-2-amine
PubChem CID103757390
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name6-chloro-N-hex-5-ynylpyrazin-2-amine
SMILESC#CCCCCNc1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-5-6-13-10-8-12-7-9(11)14-10/h1,7-8H,3-6H2,(H,13,14)
InChIKeyNTVNAFFBCZDWKG-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-hex-5-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-prop-2-ynylpyrazin-2-amine
CID 107268148
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
6-(but-3-ynylamino)pyrazine-2-carbonitrile
CID 164644069
6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 106223110
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hex-5-ynylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-hex-5-ynylpyrazin-2-amine (CID 103757390) is 6-chloro-N-hex-5-ynylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-hex-5-ynylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-hex-5-ynylpyrazin-2-amine is C#CCCCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-hex-5-ynylpyrazin-2-amine?
The InChIKey is NTVNAFFBCZDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-2-3-4-5-6-13-10-8-12-7-9(11)14-10/h1,7-8H,3-6H2,(H,13,14).
What are the key properties of 6-chloro-N-hex-5-ynylpyrazin-2-amine?
6-chloro-N-hex-5-ynylpyrazin-2-amine has a molecular weight of 209.68 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hex-5-ynylpyrazin-2-amine is sourced from PubChem (CID 103757390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).