1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine

C8H10N6 — CID 165473092

IUPAC1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
SMILESCc1cnc(Cn2cc(N)nn2)nc1
InChIInChI=1S/C8H10N6/c1-6-2-10-8(11-3-6)5-14-4-7(9)12-13-14/h2-4H,5,9H2,1H3
InChIKeyLFNGRTCAYVPDDG-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.01
Rot. Bonds2

About 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine

1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine (PubChem CID 165473092) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
PubChem CID165473092
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
SMILESCc1cnc(Cn2cc(N)nn2)nc1
InChIInChI=1S/C8H10N6/c1-6-2-10-8(11-3-6)5-14-4-7(9)12-13-14/h2-4H,5,9H2,1H3
InChIKeyLFNGRTCAYVPDDG-UHFFFAOYSA-N
XLogP0.01
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine (CID 165473092) is 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine is Cc1cnc(Cn2cc(N)nn2)nc1.
What is the InChIKey of 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine?
The InChIKey is LFNGRTCAYVPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-6-2-10-8(11-3-6)5-14-4-7(9)12-13-14/h2-4H,5,9H2,1H3.
What are the key properties of 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine?
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine has a molecular weight of 190.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165473092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).