1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

C12H20N6O3 — CID 62793518

IUPAC1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNc1n[nH]c(C(=O)N2CCC(C(=O)NCCCO)CC2)n1
InChIInChI=1S/C12H20N6O3/c13-12-15-9(16-17-12)11(21)18-5-2-8(3-6-18)10(20)14-4-1-7-19/h8,19H,1-7H2,(H,14,20)(H3,13,15,16,17)
InChIKeyBWBSKDVIMNYBNY-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.26
Rot. Bonds5

About 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 62793518) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID62793518
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNc1n[nH]c(C(=O)N2CCC(C(=O)NCCCO)CC2)n1
InChIInChI=1S/C12H20N6O3/c13-12-15-9(16-17-12)11(21)18-5-2-8(3-6-18)10(20)14-4-1-7-19/h8,19H,1-7H2,(H,14,20)(H3,13,15,16,17)
InChIKeyBWBSKDVIMNYBNY-UHFFFAOYSA-N
XLogP-1.26
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 62793518) is 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is Nc1n[nH]c(C(=O)N2CCC(C(=O)NCCCO)CC2)n1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is BWBSKDVIMNYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c13-12-15-9(16-17-12)11(21)18-5-2-8(3-6-18)10(20)14-4-1-7-19/h8,19H,1-7H2,(H,14,20)(H3,13,15,16,17).
What are the key properties of 1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -1.26, 5 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)-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 62793518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).