1H-1,2,4-triazole-5-carbohydrazide

C3H5N5O — CID 2760675

IUPAC1H-1,2,4-triazole-5-carbohydrazide
SMILESNNC(=O)c1ncn[nH]1
InChIInChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
InChIKeyBKTBECSWYCHYID-UHFFFAOYSA-N
MW127.11 g/mol
LogP-1.59
Rot. Bonds1

About 1H-1,2,4-triazole-5-carbohydrazide

1H-1,2,4-triazole-5-carbohydrazide (PubChem CID 2760675) has the molecular formula C3H5N5O and a molecular weight of 127.11 g/mol. Its IUPAC name is 1H-1,2,4-triazole-5-carbohydrazide.

Molecular Properties

Compound Name1H-1,2,4-triazole-5-carbohydrazide
PubChem CID2760675
Molecular FormulaC3H5N5O
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC Name1H-1,2,4-triazole-5-carbohydrazide
SMILESNNC(=O)c1ncn[nH]1
InChIInChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
InChIKeyBKTBECSWYCHYID-UHFFFAOYSA-N
XLogP-1.59
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
CID 155075039
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
2-[[2-(1H-1,2,4-triazole-5-carbonylamino)acetyl]amino]acetic acid
CID 63653985
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115301074

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole-5-carbohydrazide?
The IUPAC name of 1H-1,2,4-triazole-5-carbohydrazide (CID 2760675) is 1H-1,2,4-triazole-5-carbohydrazide.
What is the SMILES notation for 1H-1,2,4-triazole-5-carbohydrazide?
The canonical SMILES for 1H-1,2,4-triazole-5-carbohydrazide is NNC(=O)c1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazole-5-carbohydrazide?
The InChIKey is BKTBECSWYCHYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8).
What are the key properties of 1H-1,2,4-triazole-5-carbohydrazide?
1H-1,2,4-triazole-5-carbohydrazide has a molecular weight of 127.11 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole-5-carbohydrazide is sourced from PubChem (CID 2760675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).