3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine

C10H14N6 — CID 106221632

IUPAC3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2cnccn2)nn1
InChIInChI=1S/C10H14N6/c11-3-1-2-9-7-16(15-14-9)8-10-6-12-4-5-13-10/h4-7H,1-3,8,11H2
InChIKeyVEBDCXRDWWSXER-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.01
Rot. Bonds5

About 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine

3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 106221632) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID106221632
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2cnccn2)nn1
InChIInChI=1S/C10H14N6/c11-3-1-2-9-7-16(15-14-9)8-10-6-12-4-5-13-10/h4-7H,1-3,8,11H2
InChIKeyVEBDCXRDWWSXER-UHFFFAOYSA-N
XLogP0.01
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
CID 62054119
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
CID 130446104
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220716
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160006
3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221374
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
3-[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106220841
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine (CID 106221632) is 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine is NCCCc1cn(Cc2cnccn2)nn1.
What is the InChIKey of 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is VEBDCXRDWWSXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-3-1-2-9-7-16(15-14-9)8-10-6-12-4-5-13-10/h4-7H,1-3,8,11H2.
What are the key properties of 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine?
3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106221632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).