3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine

C13H21ClN4 — CID 23438732

IUPAC3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESCC(C)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-10(2)18-7-3-11(4-8-18)9-17-13-12(14)15-5-6-16-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyHZRCXZFFXQUGJB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine

3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 23438732) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID23438732
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESCC(C)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-10(2)18-7-3-11(4-8-18)9-17-13-12(14)15-5-6-16-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyHZRCXZFFXQUGJB-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine (CID 23438732) is 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine is CC(C)N1CCC(CNc2nccnc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is HZRCXZFFXQUGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10(2)18-7-3-11(4-8-18)9-17-13-12(14)15-5-6-16-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 23438732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).