4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide

C17H27N5O2 — CID 158828539

IUPAC4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCC(CC(=O)c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c18-13-5-3-12(4-6-13)17(24)21-14-7-1-11(2-8-14)9-15(23)16-19-10-20-22-16/h10-14H,1-9,18H2,(H,21,24)(H,19,20,22)
InChIKeyIWTIPIYPFVHKJW-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.57
Rot. Bonds5

About 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide

4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 158828539) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide
PubChem CID158828539
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCC(CC(=O)c3ncn[nH]3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c18-13-5-3-12(4-6-13)17(24)21-14-7-1-11(2-8-14)9-15(23)16-19-10-20-22-16/h10-14H,1-9,18H2,(H,21,24)(H,19,20,22)
InChIKeyIWTIPIYPFVHKJW-UHFFFAOYSA-N
XLogP1.57
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]butanamide
CID 149377172
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 102724932
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
CID 110096693

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide (CID 158828539) is 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NC2CCC(CC(=O)c3ncn[nH]3)CC2)CC1.
What is the InChIKey of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is IWTIPIYPFVHKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c18-13-5-3-12(4-6-13)17(24)21-14-7-1-11(2-8-14)9-15(23)16-19-10-20-22-16/h10-14H,1-9,18H2,(H,21,24)(H,19,20,22).
What are the key properties of 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide?
4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 158828539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).