N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

C16H16N6O — CID 91889110

IUPACN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccn[nH]1
InChIInChI=1S/C16H16N6O/c23-16(13-7-8-17-19-13)18-12-5-3-4-11(10-12)15-21-20-14-6-1-2-9-22(14)15/h3-5,7-8,10H,1-2,6,9H2,(H,17,19)(H,18,23)
InChIKeyAKKRNJXVLFAXBH-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 91889110) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID91889110
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccn[nH]1
InChIInChI=1S/C16H16N6O/c23-16(13-7-8-17-19-13)18-12-5-3-4-11(10-12)15-21-20-14-6-1-2-9-22(14)15/h3-5,7-8,10H,1-2,6,9H2,(H,17,19)(H,18,23)
InChIKeyAKKRNJXVLFAXBH-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
CID 91889079
4-amino-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 119680951
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811
4-ethyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
CID 91889057
4-acetamido-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 41489293
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]cyclopropanecarboxamide
CID 91664140
3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7761249
3,5-dichloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 18289911
4-(2-oxoimidazolidin-1-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 134055641
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47074777
2-amino-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 119943765
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexanecarboxamide
CID 8960812

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 91889110) is N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccn[nH]1.
What is the InChIKey of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AKKRNJXVLFAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(13-7-8-17-19-13)18-12-5-3-4-11(10-12)15-21-20-14-6-1-2-9-22(14)15/h3-5,7-8,10H,1-2,6,9H2,(H,17,19)(H,18,23).
What are the key properties of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91889110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).