1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide

C10H17N7O — CID 63583580

IUPAC1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCC(C#N)CN(C)CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C10H17N7O/c1-8(5-11)6-16(2)3-4-17-7-9(14-15-17)10(18)13-12/h7-8H,3-4,6,12H2,1-2H3,(H,13,18)
InChIKeySQJZVKOAZCHUFQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.03
Rot. Bonds6

About 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 63583580) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID63583580
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCC(C#N)CN(C)CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C10H17N7O/c1-8(5-11)6-16(2)3-4-17-7-9(14-15-17)10(18)13-12/h7-8H,3-4,6,12H2,1-2H3,(H,13,18)
InChIKeySQJZVKOAZCHUFQ-UHFFFAOYSA-N
XLogP-1.03
TPSA112.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide (CID 63583580) is 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide is CC(C#N)CN(C)CCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is SQJZVKOAZCHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-8(5-11)6-16(2)3-4-17-7-9(14-15-17)10(18)13-12/h7-8H,3-4,6,12H2,1-2H3,(H,13,18).
What are the key properties of 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63583580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).