N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H24N4O2 — CID 72938563

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c24-19(15-10-14-6-4-5-9-17(14)25-12-15)20-11-18-22-21-13-23(18)16-7-2-1-3-8-16/h4-6,9,13,15-16H,1-3,7-8,10-12H2,(H,20,24)
InChIKeyMHBYLBVQHWQGFM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72938563) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72938563
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C19H24N4O2/c24-19(15-10-14-6-4-5-9-17(14)25-12-15)20-11-18-22-21-13-23(18)16-7-2-1-3-8-16/h4-6,9,13,15-16H,1-3,7-8,10-12H2,(H,20,24)
InChIKeyMHBYLBVQHWQGFM-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-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-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72938563) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1nncn1C1CCCCC1)C1COc2ccccc2C1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MHBYLBVQHWQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(15-10-14-6-4-5-9-17(14)25-12-15)20-11-18-22-21-13-23(18)16-7-2-1-3-8-16/h4-6,9,13,15-16H,1-3,7-8,10-12H2,(H,20,24).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72938563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).