N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide

C11H19N5O2 — CID 55251105

IUPACN-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c17-11(10-14-8-15-16-10)13-4-1-7-18-9-2-5-12-6-3-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16)
InChIKeyBTQGBZZXAYIXRB-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.31
Rot. Bonds6

About N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide

N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55251105) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID55251105
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c17-11(10-14-8-15-16-10)13-4-1-7-18-9-2-5-12-6-3-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16)
InChIKeyBTQGBZZXAYIXRB-UHFFFAOYSA-N
XLogP-0.31
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide (CID 55251105) is N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCCCOC1CCNCC1)c1ncn[nH]1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BTQGBZZXAYIXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c17-11(10-14-8-15-16-10)13-4-1-7-18-9-2-5-12-6-3-9/h8-9,12H,1-7H2,(H,13,17)(H,14,15,16).
What are the key properties of N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55251105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).