3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine

C9H12ClN3 — CID 131187821

IUPAC3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
SMILESC=C(CC)CNc1nccnc1Cl
InChIInChI=1S/C9H12ClN3/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyMWDWYIRFNLOJTL-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.51
Rot. Bonds4

About 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine

3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine (PubChem CID 131187821) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
PubChem CID131187821
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
SMILESC=C(CC)CNc1nccnc1Cl
InChIInChI=1S/C9H12ClN3/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyMWDWYIRFNLOJTL-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 106196773
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
CID 121204701
N'-(3-chloropyrazin-2-yl)propanehydrazide
CID 127012228
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
CID 66169969
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
CID 130848412
N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
CID 106405847
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine (CID 131187821) is 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine is C=C(CC)CNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine?
The InChIKey is MWDWYIRFNLOJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-3-7(2)6-13-9-8(10)11-4-5-12-9/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine?
3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine is sourced from PubChem (CID 131187821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).