[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine

C8H10N6 — CID 62054119

IUPAC[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cnccn2)nn1
InChIInChI=1S/C8H10N6/c9-3-7-5-14(13-12-7)6-8-4-10-1-2-11-8/h1-2,4-5H,3,6,9H2
InChIKeyLOFIRNDWKSTEOH-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.42
Rot. Bonds3

About [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine

[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine (PubChem CID 62054119) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
PubChem CID62054119
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2cnccn2)nn1
InChIInChI=1S/C8H10N6/c9-3-7-5-14(13-12-7)6-8-4-10-1-2-11-8/h1-2,4-5H,3,6,9H2
InChIKeyLOFIRNDWKSTEOH-UHFFFAOYSA-N
XLogP-0.42
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106221632
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]methanamine
CID 104810230
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
[1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanamine
CID 82204215
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
CID 79542874
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
[1-(difluoromethyl)triazol-4-yl]methanamine
CID 154731374
[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
CID 62055653

Frequently Asked Questions

What is the IUPAC name of [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine (CID 62054119) is [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine is NCc1cn(Cc2cnccn2)nn1.
What is the InChIKey of [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is LOFIRNDWKSTEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-3-7-5-14(13-12-7)6-8-4-10-1-2-11-8/h1-2,4-5H,3,6,9H2.
What are the key properties of [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine?
[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 190.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62054119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).