N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide

C8H12N4O2 — CID 60982429

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCO1
InChIInChI=1S/C8H12N4O2/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h5-6H,1-4H2,(H,9,13)(H,10,11,12)
InChIKeyJRAJKEBVAKOQOY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.40
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide (PubChem CID 60982429) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide
PubChem CID60982429
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCO1
InChIInChI=1S/C8H12N4O2/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h5-6H,1-4H2,(H,9,13)(H,10,11,12)
InChIKeyJRAJKEBVAKOQOY-UHFFFAOYSA-N
XLogP-0.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide (CID 60982429) is N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide is O=C(NCc1ncn[nH]1)C1CCCO1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide?
The InChIKey is JRAJKEBVAKOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8(6-2-1-3-14-6)9-4-7-10-5-11-12-7/h5-6H,1-4H2,(H,9,13)(H,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 60982429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).