1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide

C10H16N6O2 — CID 135077480

IUPAC1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H16N6O2/c1-7(17)15-4-2-8(3-5-15)16-6-9(13-14-16)10(18)12-11/h6,8H,2-5,11H2,1H3,(H,12,18)
InChIKeyCWHGTWPADCMWOB-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.94
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide

1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide (PubChem CID 135077480) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
PubChem CID135077480
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H16N6O2/c1-7(17)15-4-2-8(3-5-15)16-6-9(13-14-16)10(18)12-11/h6,8H,2-5,11H2,1H3,(H,12,18)
InChIKeyCWHGTWPADCMWOB-UHFFFAOYSA-N
XLogP-0.94
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
1-(1-cyclopropyltriazol-4-yl)-2-methylpropan-1-one
CID 164754371
4-(4-carbamoyltriazol-1-yl)-N-[(1S)-1-cyclopropyl-2-methylpropyl]piperidine-1-carboxamide
CID 164639896
N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
CID 171348403
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-cyclopropyl-1-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]triazole-4-carboxamide
CID 56703669

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide (CID 135077480) is 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide is CC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide?
The InChIKey is CWHGTWPADCMWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-7(17)15-4-2-8(3-5-15)16-6-9(13-14-16)10(18)12-11/h6,8H,2-5,11H2,1H3,(H,12,18).
What are the key properties of 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide?
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide has a molecular weight of 252.28 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide is sourced from PubChem (CID 135077480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).