3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide

C8H10N6O — CID 61216623

IUPAC3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCn1cccn1)Nc1ncn[nH]1
InChIInChI=1S/C8H10N6O/c15-7(12-8-9-6-10-13-8)2-5-14-4-1-3-11-14/h1,3-4,6H,2,5H2,(H2,9,10,12,13,15)
InChIKeyCGKQAPUGUQSHTH-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.03
Rot. Bonds4

About 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide

3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 61216623) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID61216623
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCn1cccn1)Nc1ncn[nH]1
InChIInChI=1S/C8H10N6O/c15-7(12-8-9-6-10-13-8)2-5-14-4-1-3-11-14/h1,3-4,6H,2,5H2,(H2,9,10,12,13,15)
InChIKeyCGKQAPUGUQSHTH-UHFFFAOYSA-N
XLogP0.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982939
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-pyrazol-1-ylpropanamide
CID 112689328
2-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 121240807
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523
(3S)-3-(4-chlorophenyl)-3-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 125432197
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 61216623) is 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCn1cccn1)Nc1ncn[nH]1.
What is the InChIKey of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is CGKQAPUGUQSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c15-7(12-8-9-6-10-13-8)2-5-14-4-1-3-11-14/h1,3-4,6H,2,5H2,(H2,9,10,12,13,15).
What are the key properties of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 206.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 61216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).