1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide

C11H21N7O — CID 55214791

IUPAC1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCN1CCCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H21N7O/c1-16-3-2-4-17(6-5-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19)
InChIKeyWCOGUTAZSIFPPO-UHFFFAOYSA-N
MW267.34 g/mol
LogP-1.48
Rot. Bonds4

About 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide

1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 55214791) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID55214791
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
SMILESCN1CCCN(CCn2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H21N7O/c1-16-3-2-4-17(6-5-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19)
InChIKeyWCOGUTAZSIFPPO-UHFFFAOYSA-N
XLogP-1.48
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-1.48
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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Related Compounds

1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide (CID 55214791) is 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide is CN1CCCN(CCn2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is WCOGUTAZSIFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-16-3-2-4-17(6-5-16)7-8-18-9-10(14-15-18)11(19)13-12/h9H,2-8,12H2,1H3,(H,13,19).
What are the key properties of 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 267.34 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55214791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).