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

C16H24N6O — CID 84596679

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCc1nc2n(n1)CCCC2NC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C16H24N6O/c1-5-12-18-15-11(7-6-8-22(15)21-12)17-16(23)13-10(4)19-20-14(13)9(2)3/h9,11H,5-8H2,1-4H3,(H,17,23)(H,19,20)
InChIKeyUUCJZTKUMOKIEH-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.26
Rot. Bonds4

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

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 84596679) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID84596679
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCc1nc2n(n1)CCCC2NC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C16H24N6O/c1-5-12-18-15-11(7-6-8-22(15)21-12)17-16(23)13-10(4)19-20-14(13)9(2)3/h9,11H,5-8H2,1-4H3,(H,17,23)(H,19,20)
InChIKeyUUCJZTKUMOKIEH-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide (CID 84596679) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide is CCc1nc2n(n1)CCCC2NC(=O)c1c(C(C)C)n[nH]c1C.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is UUCJZTKUMOKIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-12-18-15-11(7-6-8-22(15)21-12)17-16(23)13-10(4)19-20-14(13)9(2)3/h9,11H,5-8H2,1-4H3,(H,17,23)(H,19,20).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 84596679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).