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

C8H9ClN6 — CID 130848412

IUPAC3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cc(CNc2nccnc2Cl)nn1
InChIInChI=1S/C8H9ClN6/c1-15-5-6(13-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyNHDPCRZVSJOAMP-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.87
Rot. Bonds3

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

3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 130848412) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
PubChem CID130848412
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cc(CNc2nccnc2Cl)nn1
InChIInChI=1S/C8H9ClN6/c1-15-5-6(13-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyNHDPCRZVSJOAMP-UHFFFAOYSA-N
XLogP0.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 103865833
6-chloro-N-[(1-methyltriazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 62756856
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
CID 107052060
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107
3,5-dichloro-4-(difluoromethoxy)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755449
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701
2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 83065169
3-chloro-N-[(1-methyltriazol-4-yl)methyl]-4-propoxyaniline
CID 55113512
3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine (CID 130848412) is 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine is Cn1cc(CNc2nccnc2Cl)nn1.
What is the InChIKey of 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is NHDPCRZVSJOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c1-15-5-6(13-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 224.66 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 130848412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).