3-chloro-N-(4-methylpentyl)pyrazin-2-amine

C10H16ClN3 — CID 63003254

IUPAC3-chloro-N-(4-methylpentyl)pyrazin-2-amine
SMILESCC(C)CCCNc1nccnc1Cl
InChIInChI=1S/C10H16ClN3/c1-8(2)4-3-5-13-10-9(11)12-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyAFWMLZLAQFGZKU-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N-(4-methylpentyl)pyrazin-2-amine

3-chloro-N-(4-methylpentyl)pyrazin-2-amine (PubChem CID 63003254) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-N-(4-methylpentyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methylpentyl)pyrazin-2-amine
PubChem CID63003254
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-N-(4-methylpentyl)pyrazin-2-amine
SMILESCC(C)CCCNc1nccnc1Cl
InChIInChI=1S/C10H16ClN3/c1-8(2)4-3-5-13-10-9(11)12-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyAFWMLZLAQFGZKU-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylpentyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(4-methylpentyl)pyrazin-2-amine (CID 63003254) is 3-chloro-N-(4-methylpentyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-methylpentyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(4-methylpentyl)pyrazin-2-amine is CC(C)CCCNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-(4-methylpentyl)pyrazin-2-amine?
The InChIKey is AFWMLZLAQFGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-8(2)4-3-5-13-10-9(11)12-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(4-methylpentyl)pyrazin-2-amine?
3-chloro-N-(4-methylpentyl)pyrazin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylpentyl)pyrazin-2-amine is sourced from PubChem (CID 63003254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).