5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide

C8H12N4O2 — CID 154733062

IUPAC5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C8H12N4O2/c9-6(13)8-10-7(11-12-8)5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,13)(H,10,11,12)
InChIKeyOWJCMZDXMYKVOO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.20
Rot. Bonds2

About 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide

5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154733062) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID154733062
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C8H12N4O2/c9-6(13)8-10-7(11-12-8)5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,13)(H,10,11,12)
InChIKeyOWJCMZDXMYKVOO-UHFFFAOYSA-N
XLogP-0.20
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 65334530
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
5-(1,1-dioxothian-4-yl)-1H-1,2,4-triazole-3-carboxylic acid
CID 115045558
N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 83235867
[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398160
[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301643
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 131449897
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114412324
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
N-benzyl-5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
CID 71544095
5-(oxan-4-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62906912
2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150676654

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide (CID 154733062) is 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(C2CCOCC2)n1.
What is the InChIKey of 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is OWJCMZDXMYKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-6(13)8-10-7(11-12-8)5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,13)(H,10,11,12).
What are the key properties of 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide?
5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154733062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).