1,5-dimethyl-1,2,4-triazole-3-carbohydrazide

C5H9N5O — CID 162787533

IUPAC1,5-dimethyl-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NN)nn1C
InChIInChI=1S/C5H9N5O/c1-3-7-4(5(11)8-6)9-10(3)2/h6H2,1-2H3,(H,8,11)
InChIKeyXKWOCYWBHBWVFX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.27
Rot. Bonds1

About 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide

1,5-dimethyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 162787533) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1,5-dimethyl-1,2,4-triazole-3-carbohydrazide
PubChem CID162787533
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name1,5-dimethyl-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NN)nn1C
InChIInChI=1S/C5H9N5O/c1-3-7-4(5(11)8-6)9-10(3)2/h6H2,1-2H3,(H,8,11)
InChIKeyXKWOCYWBHBWVFX-UHFFFAOYSA-N
XLogP-1.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.27
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

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
2-(1,5-Dimethyl-1,2,4-triazol-3-yl)acetohydrazide
CID 5270933
2-(5-Methyltetrazol-1-yl)acetohydrazide
CID 4771174
3-Methyl-1H-1,2,4-triazole-5-carboxamide
CID 12220108
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
1-Methyl-1H-1,2,4-triazole-3-carbohydrazide
CID 142359614
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
2-Amino-N-[3-(aminomethyl)-4H-1,2,4-triazol-4-YL]acetamide
CID 52903764
5-Methyl-1 H-1,2,4-triazole-3-carbohydrazide
CID 12890301
1-Methyl-1H-1,2,4-triazole-5-carbohydrazide
CID 13568527
1,3-Dimethyl-1 H-1,2,4-triazole-5-carbohydrazide
CID 162787534

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide (CID 162787533) is 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide is Cc1nc(C(=O)NN)nn1C.
What is the InChIKey of 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is XKWOCYWBHBWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-3-7-4(5(11)8-6)9-10(3)2/h6H2,1-2H3,(H,8,11).
What are the key properties of 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide?
1,5-dimethyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 155.16 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 162787533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).