1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea

C19H23N5O4 — CID 72931004

IUPAC1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea
SMILESCOCCn1cnnc1C(C)NC(=O)Nc1cc2c(C)cc(=O)oc2cc1C
InChIInChI=1S/C19H23N5O4/c1-11-8-17(25)28-16-7-12(2)15(9-14(11)16)22-19(26)21-13(3)18-23-20-10-24(18)5-6-27-4/h7-10,13H,5-6H2,1-4H3,(H2,21,22,26)
InChIKeyQSMFDQMWKUBZKF-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.53
Rot. Bonds6

About 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea

1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea (PubChem CID 72931004) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea
PubChem CID72931004
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea
SMILESCOCCn1cnnc1C(C)NC(=O)Nc1cc2c(C)cc(=O)oc2cc1C
InChIInChI=1S/C19H23N5O4/c1-11-8-17(25)28-16-7-12(2)15(9-14(11)16)22-19(26)21-13(3)18-23-20-10-24(18)5-6-27-4/h7-10,13H,5-6H2,1-4H3,(H2,21,22,26)
InChIKeyQSMFDQMWKUBZKF-UHFFFAOYSA-N
XLogP2.53
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 97433614
1-(difluoromethyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazole-3-carboxamide
CID 156584689
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
1-(3-chloro-2-fluorophenyl)-3-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 72899413
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70767304
1-(2,3-dimethylquinoxalin-6-yl)-3-[(1S)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 97444438
7-[2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methylamino]propoxy]-4-methylchromen-2-one
CID 171909089
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118780951
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea?
The IUPAC name of 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea (CID 72931004) is 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea is COCCn1cnnc1C(C)NC(=O)Nc1cc2c(C)cc(=O)oc2cc1C.
What is the InChIKey of 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea?
The InChIKey is QSMFDQMWKUBZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11-8-17(25)28-16-7-12(2)15(9-14(11)16)22-19(26)21-13(3)18-23-20-10-24(18)5-6-27-4/h7-10,13H,5-6H2,1-4H3,(H2,21,22,26).
What are the key properties of 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea?
1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea has a molecular weight of 385.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]urea is sourced from PubChem (CID 72931004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).