6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C18H18N8 — CID 146039084

IUPAC6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-n2nc(-c3ccccc3)nc2C2CCc3ncnn3C2)cn1
InChIInChI=1S/C18H18N8/c1-24-11-15(9-20-24)26-18(14-7-8-16-19-12-21-25(16)10-14)22-17(23-26)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3
InChIKeyNZMCVJCKSODORP-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.99
Rot. Bonds3

About 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146039084) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146039084
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-n2nc(-c3ccccc3)nc2C2CCc3ncnn3C2)cn1
InChIInChI=1S/C18H18N8/c1-24-11-15(9-20-24)26-18(14-7-8-16-19-12-21-25(16)10-14)22-17(23-26)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3
InChIKeyNZMCVJCKSODORP-UHFFFAOYSA-N
XLogP1.99
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
2-ethoxy-1-[4-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 138383555
4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
CID 154565021
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
3-cyclopentyl-1-(1-methylpyrazol-4-yl)-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2,4-triazole
CID 167905383
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887
1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
CID 155965920
(6S)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95295052
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567562
(6S)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95322037

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146039084) is 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-n2nc(-c3ccccc3)nc2C2CCc3ncnn3C2)cn1.
What is the InChIKey of 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NZMCVJCKSODORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-24-11-15(9-20-24)26-18(14-7-8-16-19-12-21-25(16)10-14)22-17(23-26)13-5-3-2-4-6-13/h2-6,9,11-12,14H,7-8,10H2,1H3.
What are the key properties of 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 346.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146039084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).