4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide

C15H18N4O2 — CID 136563304

IUPAC4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
SMILESCC1(C(=O)NCCn2cncn2)CCOc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(6-9-21-13-5-3-2-4-12(13)15)14(20)17-7-8-19-11-16-10-18-19/h2-5,10-11H,6-9H2,1H3,(H,17,20)
InChIKeyCSGVDJOZOOIOLY-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.13
Rot. Bonds4

About 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide

4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide (PubChem CID 136563304) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
PubChem CID136563304
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
SMILESCC1(C(=O)NCCn2cncn2)CCOc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(6-9-21-13-5-3-2-4-12(13)15)14(20)17-7-8-19-11-16-10-18-19/h2-5,10-11H,6-9H2,1H3,(H,17,20)
InChIKeyCSGVDJOZOOIOLY-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 92572434
4-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydrochromene-4-carboxamide
CID 136567995
ethyl (1S)-1-[2-(1,2,4-triazol-1-yl)ethylamino]-2,3-dihydroindene-1-carboxylate
CID 97216775
1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 91779228
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
5-methyl-1'-[2-(1,2,4-triazol-1-yl)acetyl]spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133071197
methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
CID 138979814
2-(7-oxospiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-1'-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 110064525
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 71926365
1-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]urea
CID 97222883
4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide
CID 164629816

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide (CID 136563304) is 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide is CC1(C(=O)NCCn2cncn2)CCOc2ccccc21.
What is the InChIKey of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide?
The InChIKey is CSGVDJOZOOIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(6-9-21-13-5-3-2-4-12(13)15)14(20)17-7-8-19-11-16-10-18-19/h2-5,10-11H,6-9H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide?
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 136563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).