5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide

C14H16N4O3 — CID 169402338

IUPAC5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCC1CC1
InChIInChI=1S/C14H16N4O3/c1-20-10-5-4-9(6-11(10)21-7-8-2-3-8)12-13(14(15)19)17-18-16-12/h4-6,8H,2-3,7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyBNOZAWOLSMDRMS-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.37
Rot. Bonds6

About 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide

5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169402338) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169402338
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(-c2n[nH]nc2C(N)=O)cc1OCC1CC1
InChIInChI=1S/C14H16N4O3/c1-20-10-5-4-9(6-11(10)21-7-8-2-3-8)12-13(14(15)19)17-18-16-12/h4-6,8H,2-3,7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyBNOZAWOLSMDRMS-UHFFFAOYSA-N
XLogP1.37
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
[4-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenyl] 4-methylbenzoate
CID 169403764
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402966

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169402338) is 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide is COc1ccc(-c2n[nH]nc2C(N)=O)cc1OCC1CC1.
What is the InChIKey of 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is BNOZAWOLSMDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-10-5-4-9(6-11(10)21-7-8-2-3-8)12-13(14(15)19)17-18-16-12/h4-6,8H,2-3,7H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).