N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

C14H23N5O — CID 128631052

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCc1nc(NC(=O)N2CC3(CCC3)C2C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-9(2)11-14(6-5-7-14)8-19(11)13(20)16-12-15-10(3)18(4)17-12/h9,11H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyJHMKMXWKFHIOFJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.17
Rot. Bonds2

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 128631052) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID128631052
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCc1nc(NC(=O)N2CC3(CCC3)C2C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-9(2)11-14(6-5-7-14)8-19(11)13(20)16-12-15-10(3)18(4)17-12/h9,11H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyJHMKMXWKFHIOFJ-UHFFFAOYSA-N
XLogP2.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[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

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide (CID 128631052) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is Cc1nc(NC(=O)N2CC3(CCC3)C2C(C)C)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is JHMKMXWKFHIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)11-14(6-5-7-14)8-19(11)13(20)16-12-15-10(3)18(4)17-12/h9,11H,5-8H2,1-4H3,(H,16,17,20).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 128631052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).