3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine

C8H10ClN3 — CID 106196773

IUPAC3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
SMILESC=C(C)CNc1nccnc1Cl
InChIInChI=1S/C8H10ClN3/c1-6(2)5-12-8-7(9)10-3-4-11-8/h3-4H,1,5H2,2H3,(H,11,12)
InChIKeyLPLAXVPWIXGPEG-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.12
Rot. Bonds3

About 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine

3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine (PubChem CID 106196773) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
PubChem CID106196773
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
SMILESC=C(C)CNc1nccnc1Cl
InChIInChI=1S/C8H10ClN3/c1-6(2)5-12-8-7(9)10-3-4-11-8/h3-4H,1,5H2,2H3,(H,11,12)
InChIKeyLPLAXVPWIXGPEG-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.12
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-methylidenebutyl)pyrazin-2-amine
CID 131187821
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine
CID 106196771
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
3-[(3-chloropyrazin-2-yl)amino]propane-1,2-diol
CID 66169969
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
CID 106405847

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine (CID 106196773) is 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine is C=C(C)CNc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine?
The InChIKey is LPLAXVPWIXGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-6(2)5-12-8-7(9)10-3-4-11-8/h3-4H,1,5H2,2H3,(H,11,12).
What are the key properties of 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine?
3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine is sourced from PubChem (CID 106196773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).