N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

C15H20N4O2 — CID 102907598

IUPACN-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(20)16-12-7-5-4-6-11(12)8-9-21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeySMEOJDHQZQWEHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 102907598) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID102907598
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCOCCc1ccccc1NC(=O)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(20)16-12-7-5-4-6-11(12)8-9-21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeySMEOJDHQZQWEHK-UHFFFAOYSA-N
XLogP2.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740309
3-[2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272421
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
N-(4-hydroxy-2,5-dimethylphenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 106954626
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 102907598) is N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is COCCc1ccccc1NC(=O)c1n[nH]c(C(C)C)n1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is SMEOJDHQZQWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(20)16-12-7-5-4-6-11(12)8-9-21-3/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 102907598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).