N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine

C11H16ClN3 — CID 65029619

IUPACN-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
SMILESClC1CCCCC1CNc1cnccn1
InChIInChI=1S/C11H16ClN3/c12-10-4-2-1-3-9(10)7-15-11-8-13-5-6-14-11/h5-6,8-10H,1-4,7H2,(H,14,15)
InChIKeyOFEBNIKRPVPOHY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.69
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine

N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine (PubChem CID 65029619) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
PubChem CID65029619
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
SMILESClC1CCCCC1CNc1cnccn1
InChIInChI=1S/C11H16ClN3/c12-10-4-2-1-3-9(10)7-15-11-8-13-5-6-14-11/h5-6,8-10H,1-4,7H2,(H,14,15)
InChIKeyOFEBNIKRPVPOHY-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine (CID 65029619) is N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine is ClC1CCCCC1CNc1cnccn1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine?
The InChIKey is OFEBNIKRPVPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-10-4-2-1-3-9(10)7-15-11-8-13-5-6-14-11/h5-6,8-10H,1-4,7H2,(H,14,15).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine?
N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 65029619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).