1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide

C10H17N5O2 — CID 114158101

IUPAC1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCCC2CC2)nn1
InChIInChI=1S/C10H17N5O2/c11-12-10(16)9-7-15(14-13-9)4-6-17-5-3-8-1-2-8/h7-8H,1-6,11H2,(H,12,16)
InChIKeyHORVVOWIYFSVRW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.30
Rot. Bonds7

About 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide

1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide (PubChem CID 114158101) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
PubChem CID114158101
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCOCCC2CC2)nn1
InChIInChI=1S/C10H17N5O2/c11-12-10(16)9-7-15(14-13-9)4-6-17-5-3-8-1-2-8/h7-8H,1-6,11H2,(H,12,16)
InChIKeyHORVVOWIYFSVRW-UHFFFAOYSA-N
XLogP-0.30
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(2-cyclopropylethoxy)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

Related Compounds

1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
CID 63568612
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide (CID 114158101) is 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCOCCC2CC2)nn1.
What is the InChIKey of 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide?
The InChIKey is HORVVOWIYFSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-12-10(16)9-7-15(14-13-9)4-6-17-5-3-8-1-2-8/h7-8H,1-6,11H2,(H,12,16).
What are the key properties of 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide?
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide has a molecular weight of 239.28 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 114158101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).