N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide

C9H14N4O3 — CID 83085520

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CCC(C)O2)n1
InChIInChI=1S/C9H14N4O3/c1-5-3-4-6(16-5)7(14)10-8-11-9(15-2)13-12-8/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLDNKTUBWAFUJMT-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.32
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide (PubChem CID 83085520) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
PubChem CID83085520
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CCC(C)O2)n1
InChIInChI=1S/C9H14N4O3/c1-5-3-4-6(16-5)7(14)10-8-11-9(15-2)13-12-8/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLDNKTUBWAFUJMT-UHFFFAOYSA-N
XLogP0.32
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945672
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 83092747
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 83090467
N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 83101108
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
CID 104817634
N-(1H-indazol-3-yl)-5-methyloxolane-2-carboxamide
CID 80979232
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 83097528
methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 156750199
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide (CID 83085520) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide is COc1n[nH]c(NC(=O)C2CCC(C)O2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is LDNKTUBWAFUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-3-4-6(16-5)7(14)10-8-11-9(15-2)13-12-8/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 83085520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).