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

C14H16N4O3 — CID 106913160

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccc(C3OCCO3)cc2)n[nH]1
InChIInChI=1S/C14H16N4O3/c1-2-11-16-12(18-17-11)13(19)15-10-5-3-9(4-6-10)14-20-7-8-21-14/h3-6,14H,2,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPSNTZMBTGQSMJD-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.66
Rot. Bonds4

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

N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106913160) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID106913160
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ccc(C3OCCO3)cc2)n[nH]1
InChIInChI=1S/C14H16N4O3/c1-2-11-16-12(18-17-11)13(19)15-10-5-3-9(4-6-10)14-20-7-8-21-14/h3-6,14H,2,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyPSNTZMBTGQSMJD-UHFFFAOYSA-N
XLogP1.66
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 106909746
N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 82858724
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208712
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 106911857
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-fluorobenzamide
CID 110732804
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107681627

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 106913160) is N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2ccc(C3OCCO3)cc2)n[nH]1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PSNTZMBTGQSMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-11-16-12(18-17-11)13(19)15-10-5-3-9(4-6-10)14-20-7-8-21-14/h3-6,14H,2,7-8H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106913160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).