N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C14H16N6O — CID 71829133

IUPACN-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCn1cc(NC(=O)CCCc2nnc3ccccn23)cn1
InChIInChI=1S/C14H16N6O/c1-19-10-11(9-15-19)16-14(21)7-4-6-13-18-17-12-5-2-3-8-20(12)13/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,21)
InChIKeySXRLZXPETSIJGB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.42
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 71829133) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID71829133
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCn1cc(NC(=O)CCCc2nnc3ccccn23)cn1
InChIInChI=1S/C14H16N6O/c1-19-10-11(9-15-19)16-14(21)7-4-6-13-18-17-12-5-2-3-8-20(12)13/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,21)
InChIKeySXRLZXPETSIJGB-UHFFFAOYSA-N
XLogP1.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 71829133) is N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is Cn1cc(NC(=O)CCCc2nnc3ccccn23)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is SXRLZXPETSIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19-10-11(9-15-19)16-14(21)7-4-6-13-18-17-12-5-2-3-8-20(12)13/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 71829133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).