1-methyl-1,2,4-triazole-3-carbohydrazide

C4H7N5O — CID 142359614

IUPAC1-methyl-1,2,4-triazole-3-carbohydrazide
SMILESCn1cnc(C(=O)NN)n1
InChIInChI=1S/C4H7N5O/c1-9-2-6-3(8-9)4(10)7-5/h2H,5H2,1H3,(H,7,10)
InChIKeyKMHGOTNDWNXNHM-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.58
Rot. Bonds1

About 1-methyl-1,2,4-triazole-3-carbohydrazide

1-methyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 142359614) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole-3-carbohydrazide
PubChem CID142359614
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1-methyl-1,2,4-triazole-3-carbohydrazide
SMILESCn1cnc(C(=O)NN)n1
InChIInChI=1S/C4H7N5O/c1-9-2-6-3(8-9)4(10)7-5/h2H,5H2,1H3,(H,7,10)
InChIKeyKMHGOTNDWNXNHM-UHFFFAOYSA-N
XLogP-1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,2,4-Triazole-3-carboxamide
CID 65125
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
2-Amino-N-[3-(aminomethyl)-4H-1,2,4-triazol-4-YL]acetamide
CID 52903764
N-(3-methyl-4h-1,2,4-triazol-4-yl)acetamide
CID 138373733
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
N-(4H-1,2,4-Triazol-4-yl)-1H-1,2,4-triazole-3-carboxamide
CID 549776
1-Methyl-1H-1,2,4-triazole-5-carbohydrazide
CID 13568527
1,5-Dimethyl-1 H-1,2,4-triazole-3-carbohydrazide
CID 162787533
1,3-Dimethyl-1 H-1,2,4-triazole-5-carbohydrazide
CID 162787534
6-(dimethylamino)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135504039
6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135697273
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1-methyl-1,2,4-triazole-3-carbohydrazide (CID 142359614) is 1-methyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1-methyl-1,2,4-triazole-3-carbohydrazide is Cn1cnc(C(=O)NN)n1.
What is the InChIKey of 1-methyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is KMHGOTNDWNXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-9-2-6-3(8-9)4(10)7-5/h2H,5H2,1H3,(H,7,10).
What are the key properties of 1-methyl-1,2,4-triazole-3-carbohydrazide?
1-methyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 142359614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).