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

C11H20N6O2 — CID 63585470

IUPAC1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)CC1CCCO1
InChIInChI=1S/C11H20N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18)
InChIKeyBBEQBGKQKCAVRU-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.01
Rot. Bonds6

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

1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 63585470) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID63585470
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)CC1CCCO1
InChIInChI=1S/C11H20N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18)
InChIKeyBBEQBGKQKCAVRU-UHFFFAOYSA-N
XLogP-1.01
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide (CID 63585470) is 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide is CN(CCn1cc(C(=O)NN)nn1)CC1CCCO1.
What is the InChIKey of 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is BBEQBGKQKCAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-16(7-9-3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18).
What are the key properties of 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 268.32 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63585470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).