[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine

C9H12N6 — CID 62950163

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1cc(C)nc(-n2cnc(CN)n2)n1
InChIInChI=1S/C9H12N6/c1-6-3-7(2)13-9(12-6)15-5-11-8(4-10)14-15/h3,5H,4,10H2,1-2H3
InChIKeyKRZJEFWRVZWAMX-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.13
Rot. Bonds2

About [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine

[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62950163) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62950163
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1cc(C)nc(-n2cnc(CN)n2)n1
InChIInChI=1S/C9H12N6/c1-6-3-7(2)13-9(12-6)15-5-11-8(4-10)14-15/h3,5H,4,10H2,1-2H3
InChIKeyKRZJEFWRVZWAMX-UHFFFAOYSA-N
XLogP0.13
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine (CID 62950163) is [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine is Cc1cc(C)nc(-n2cnc(CN)n2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is KRZJEFWRVZWAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-6-3-7(2)13-9(12-6)15-5-11-8(4-10)14-15/h3,5H,4,10H2,1-2H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine?
[1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 204.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62950163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).