N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide

C13H20N4O — CID 164628121

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide
SMILESC[C@H](NC(=O)C1CC2(CCC2)C1)c1ncnn1C
InChIInChI=1S/C13H20N4O/c1-9(11-14-8-15-17(11)2)16-12(18)10-6-13(7-10)4-3-5-13/h8-10H,3-7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyQUHVAQDUWYUDGX-VIFPVBQESA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds3

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide (PubChem CID 164628121) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide
PubChem CID164628121
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide
SMILESC[C@H](NC(=O)C1CC2(CCC2)C1)c1ncnn1C
InChIInChI=1S/C13H20N4O/c1-9(11-14-8-15-17(11)2)16-12(18)10-6-13(7-10)4-3-5-13/h8-10H,3-7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyQUHVAQDUWYUDGX-VIFPVBQESA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71855011
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71921255
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5,5-dimethylhexanamide
CID 72008992
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
3,3,5-trimethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]cyclohexane-1-carboxamide
CID 126835295
4,4-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 132383385
(1S)-2,2-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137976386
N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 136547566
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 138035156
4,4-difluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 146075766
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)octanamide
CID 137394837

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide (CID 164628121) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide is C[C@H](NC(=O)C1CC2(CCC2)C1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide?
The InChIKey is QUHVAQDUWYUDGX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(11-14-8-15-17(11)2)16-12(18)10-6-13(7-10)4-3-5-13/h8-10H,3-7H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 164628121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).