1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide

C12H22N6O2 — CID 63571534

IUPAC1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCCC2CCCO)nn1
InChIInChI=1S/C12H22N6O2/c13-14-12(20)11-9-18(16-15-11)7-6-17-5-1-3-10(17)4-2-8-19/h9-10,19H,1-8,13H2,(H,14,20)
InChIKeyUJOCMCKCGZTZLG-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.88
Rot. Bonds7

About 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide

1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide (PubChem CID 63571534) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
PubChem CID63571534
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCCC2CCCO)nn1
InChIInChI=1S/C12H22N6O2/c13-14-12(20)11-9-18(16-15-11)7-6-17-5-1-3-10(17)4-2-8-19/h9-10,19H,1-8,13H2,(H,14,20)
InChIKeyUJOCMCKCGZTZLG-UHFFFAOYSA-N
XLogP-0.88
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
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-(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
3-[1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 63316143
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide (CID 63571534) is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCN2CCCC2CCCO)nn1.
What is the InChIKey of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide?
The InChIKey is UJOCMCKCGZTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c13-14-12(20)11-9-18(16-15-11)7-6-17-5-1-3-10(17)4-2-8-19/h9-10,19H,1-8,13H2,(H,14,20).
What are the key properties of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide?
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide has a molecular weight of 282.35 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63571534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).