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

C9H12N6O — CID 60982939

IUPAC3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCn1cccn1)NCc1ncn[nH]1
InChIInChI=1S/C9H12N6O/c16-9(2-5-15-4-1-3-13-15)10-6-8-11-7-12-14-8/h1,3-4,7H,2,5-6H2,(H,10,16)(H,11,12,14)
InChIKeyFHXAHJYHGLHLTO-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.29
Rot. Bonds5

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

3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60982939) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60982939
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCn1cccn1)NCc1ncn[nH]1
InChIInChI=1S/C9H12N6O/c16-9(2-5-15-4-1-3-13-15)10-6-8-11-7-12-14-8/h1,3-4,7H,2,5-6H2,(H,10,16)(H,11,12,14)
InChIKeyFHXAHJYHGLHLTO-UHFFFAOYSA-N
XLogP-0.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.29
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-yl)propanamide
CID 61216623
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885192
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983316
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
2-phenoxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 55021450
N-[2-(2,6-dimethylphenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036492
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60982939) is 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCn1cccn1)NCc1ncn[nH]1.
What is the InChIKey of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is FHXAHJYHGLHLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9(2-5-15-4-1-3-13-15)10-6-8-11-7-12-14-8/h1,3-4,7H,2,5-6H2,(H,10,16)(H,11,12,14).
What are the key properties of 3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 220.24 g/mol, XLogP of -0.29, 5 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-ylmethyl)propanamide is sourced from PubChem (CID 60982939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).