1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

C8H12N6O3 — CID 62792303

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C8H12N6O3/c9-5(16)4-1-3(15)2-14(4)7(17)6-11-8(10)13-12-6/h3-4,15H,1-2H2,(H2,9,16)(H3,10,11,12,13)
InChIKeyVMFOFSWCICXDEV-UHFFFAOYSA-N
MW240.22 g/mol
LogP-2.55
Rot. Bonds2

About 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 62792303) has the molecular formula C8H12N6O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID62792303
Molecular FormulaC8H12N6O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C8H12N6O3/c9-5(16)4-1-3(15)2-14(4)7(17)6-11-8(10)13-12-6/h3-4,15H,1-2H2,(H2,9,16)(H3,10,11,12,13)
InChIKeyVMFOFSWCICXDEV-UHFFFAOYSA-N
XLogP-2.55
TPSA151.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 62792303) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is VMFOFSWCICXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3/c9-5(16)4-1-3(15)2-14(4)7(17)6-11-8(10)13-12-6/h3-4,15H,1-2H2,(H2,9,16)(H3,10,11,12,13).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 240.22 g/mol, XLogP of -2.55, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 62792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).