5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C10H11N5O2 — CID 81177029

IUPAC5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H11N5O2/c16-10(11-5-7-3-4-17-15-7)9-12-8(13-14-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13,14)
InChIKeyVPKYJJZLSMKKMD-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.60
Rot. Bonds4

About 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 81177029) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID81177029
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H11N5O2/c16-10(11-5-7-3-4-17-15-7)9-12-8(13-14-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13,14)
InChIKeyVPKYJJZLSMKKMD-UHFFFAOYSA-N
XLogP0.60
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 81177029) is 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is O=C(NCc1ccon1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VPKYJJZLSMKKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-10(11-5-7-3-4-17-15-7)9-12-8(13-14-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13,14).
What are the key properties of 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 81177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).