N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

C8H12N4O2 — CID 2034560

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ncn[nH]1
InChIInChI=1S/C8H12N4O2/c13-8(7-10-5-11-12-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,13)(H,10,11,12)/t6-/m1/s1
InChIKeyMUESVVWHEZILSI-ZCFIWIBFSA-N
MW196.21 g/mol
LogP-0.29
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2034560) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID2034560
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ncn[nH]1
InChIInChI=1S/C8H12N4O2/c13-8(7-10-5-11-12-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,13)(H,10,11,12)/t6-/m1/s1
InChIKeyMUESVVWHEZILSI-ZCFIWIBFSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (CID 2034560) is N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NC[C@H]1CCCO1)c1ncn[nH]1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MUESVVWHEZILSI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8(7-10-5-11-12-7)9-4-6-2-1-3-14-6/h5-6H,1-4H2,(H,9,13)(H,10,11,12)/t6-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2034560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).