4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H10N8 — CID 66272108

IUPAC4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccncc1-c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8/c1-7-2-3-13-4-8(7)9-16-10(12)18-11(17-9)19-6-14-5-15-19/h2-6H,1H3,(H2,12,16,17,18)
InChIKeyTVAZXBACUDYLMP-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.40
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 66272108) has the molecular formula C11H10N8 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID66272108
Molecular FormulaC11H10N8
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccncc1-c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8/c1-7-2-3-13-4-8(7)9-16-10(12)18-11(17-9)19-6-14-5-15-19/h2-6H,1H3,(H2,12,16,17,18)
InChIKeyTVAZXBACUDYLMP-UHFFFAOYSA-N
XLogP0.40
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Topiroxostat
CID 5288320
Forasartan
CID 132706
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 66272108) is 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cc1ccncc1-c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is TVAZXBACUDYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8/c1-7-2-3-13-4-8(7)9-16-10(12)18-11(17-9)19-6-14-5-15-19/h2-6H,1H3,(H2,12,16,17,18).
What are the key properties of 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 254.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 66272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).