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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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).