[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine

C12H12N6 — CID 114324856

IUPAC[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
SMILESCc1cc2nnc(-c3ccnc(CN)c3)n2cn1
InChIInChI=1S/C12H12N6/c1-8-4-11-16-17-12(18(11)7-15-8)9-2-3-14-10(5-9)6-13/h2-5,7H,6,13H2,1H3
InChIKeyNURRJDCNYXMXLE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.95
Rot. Bonds2

About [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine

[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine (PubChem CID 114324856) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
PubChem CID114324856
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
SMILESCc1cc2nnc(-c3ccnc(CN)c3)n2cn1
InChIInChI=1S/C12H12N6/c1-8-4-11-16-17-12(18(11)7-15-8)9-2-3-14-10(5-9)6-13/h2-5,7H,6,13H2,1H3
InChIKeyNURRJDCNYXMXLE-UHFFFAOYSA-N
XLogP0.95
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
CID 114324859
2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine
CID 63795658
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107813656
[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
CID 136966172
[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325434
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pyridin-3-amine
CID 113447833
[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325438
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 62793660
2-amino-6-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenol
CID 136980094
3,6-dimethyl-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzoic acid
CID 103431018
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
CID 62043030

Frequently Asked Questions

What is the IUPAC name of [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine (CID 114324856) is [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine is Cc1cc2nnc(-c3ccnc(CN)c3)n2cn1.
What is the InChIKey of [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine?
The InChIKey is NURRJDCNYXMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-4-11-16-17-12(18(11)7-15-8)9-2-3-14-10(5-9)6-13/h2-5,7H,6,13H2,1H3.
What are the key properties of [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine?
[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).