N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide

C7H10N4O2 — CID 178044684

IUPACN-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2/c12-7(6-8-4-9-11-6)10-5-1-2-13-3-5/h4-5H,1-3H2,(H,10,12)(H,8,9,11)/t5-/m1/s1
InChIKeyNPAKEAGVOSEACS-RXMQYKEDSA-N
MW182.18 g/mol
LogP-0.68
Rot. Bonds2

About N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide

N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 178044684) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID178044684
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2/c12-7(6-8-4-9-11-6)10-5-1-2-13-3-5/h4-5H,1-3H2,(H,10,12)(H,8,9,11)/t5-/m1/s1
InChIKeyNPAKEAGVOSEACS-RXMQYKEDSA-N
XLogP-0.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-4-(1H-1,2,4-triazole-5-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91795458
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 118356988
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 102724932
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594
5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
CID 63361518
methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide (CID 178044684) is N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide is O=C(N[C@@H]1CCOC1)c1ncn[nH]1.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NPAKEAGVOSEACS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(6-8-4-9-11-6)10-5-1-2-13-3-5/h4-5H,1-3H2,(H,10,12)(H,8,9,11)/t5-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 178044684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).