3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide

C14H17N5O2 — CID 64894160

IUPAC3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H17N5O2/c1-19-9-16-18-12(19)10-4-2-3-5-11(10)17-13(20)14(15)6-7-21-8-14/h2-5,9H,6-8,15H2,1H3,(H,17,20)
InChIKeyGUGGJYFBYXDYMM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide

3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide (PubChem CID 64894160) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
PubChem CID64894160
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H17N5O2/c1-19-9-16-18-12(19)10-4-2-3-5-11(10)17-13(20)14(15)6-7-21-8-14/h2-5,9H,6-8,15H2,1H3,(H,17,20)
InChIKeyGUGGJYFBYXDYMM-UHFFFAOYSA-N
XLogP0.54
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
CID 64892717
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 65224910
3-amino-N-[2-(triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893121
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
3-amino-N-[2-methyl-5-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893334
3-amino-N-[2-[(dimethylamino)methyl]phenyl]oxolane-3-carboxamide
CID 64891107
3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide (CID 64894160) is 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide is Cn1cnnc1-c1ccccc1NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is GUGGJYFBYXDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-9-16-18-12(19)10-4-2-3-5-11(10)17-13(20)14(15)6-7-21-8-14/h2-5,9H,6-8,15H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64894160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).