3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H25N5O — CID 119891073

IUPAC3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C15H25N5O/c1-9(2)14-19-18-8-20(14)6-5-17-15(21)12-10-3-4-11(7-10)13(12)16/h8-13H,3-7,16H2,1-2H3,(H,17,21)
InChIKeyYYEBDPCDNMUFRX-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119891073) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119891073
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C15H25N5O/c1-9(2)14-19-18-8-20(14)6-5-17-15(21)12-10-3-4-11(7-10)13(12)16/h8-13H,3-7,16H2,1-2H3,(H,17,21)
InChIKeyYYEBDPCDNMUFRX-UHFFFAOYSA-N
XLogP0.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]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

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 53557438
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
CID 119798584
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 119798585
N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-bicyclo[2.2.1]heptanyl]octanamide
CID 146282396
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47125250
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47173989
3-cyclohexyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 53552567
2-(2-Bicyclo[2.2.1]heptanyl)-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 53596076
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883246
1-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 55038245
3-cyclohexyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 56822640
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 60983195

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119891073) is 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)c1nncn1CCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YYEBDPCDNMUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-9(2)14-19-18-8-20(14)6-5-17-15(21)12-10-3-4-11(7-10)13(12)16/h8-13H,3-7,16H2,1-2H3,(H,17,21).
What are the key properties of 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119891073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).