[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid

C15H22N8O3 — CID 163333985

IUPAC[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid
SMILESNc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1.O=CO
InChIInChI=1S/C14H20N8O.CH2O2/c15-14-18-12(19-20-14)9-3-5-21(6-4-9)13(23)10-1-2-11-16-8-17-22(11)7-10;2-1-3/h8-10H,1-7H2,(H3,15,18,19,20);1H,(H,2,3)
InChIKeyLMCWXNAWBJOJFI-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.35
Rot. Bonds2

About [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid

[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid (PubChem CID 163333985) has the molecular formula C15H22N8O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid.

Molecular Properties

Compound Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid
PubChem CID163333985
Molecular FormulaC15H22N8O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid
SMILESNc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1.O=CO
InChIInChI=1S/C14H20N8O.CH2O2/c15-14-18-12(19-20-14)9-3-5-21(6-4-9)13(23)10-1-2-11-16-8-17-22(11)7-10;2-1-3/h8-10H,1-7H2,(H3,15,18,19,20);1H,(H,2,3)
InChIKeyLMCWXNAWBJOJFI-UHFFFAOYSA-N
XLogP-0.35
TPSA155.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid with MolForge

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Related Compounds

6-{[4-(1H-1,2,4-triazol-3-yl)-1-piperazinyl]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine formate
CID 154817993
5-[1-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbonyl)-4-piperidinyl]-4H-1,2,4-triazol-3-amine formate
CID 154820826
formic acid;N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155938256
formic acid;N-[3-(2H-tetrazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155938302
Formic acid;8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 163334360
formic acid;5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 163334547

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid?
The IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid (CID 163333985) is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid.
What is the SMILES notation for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid?
The canonical SMILES for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid is Nc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1.O=CO.
What is the InChIKey of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid?
The InChIKey is LMCWXNAWBJOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O.CH2O2/c15-14-18-12(19-20-14)9-3-5-21(6-4-9)13(23)10-1-2-11-16-8-17-22(11)7-10;2-1-3/h8-10H,1-7H2,(H3,15,18,19,20);1H,(H,2,3).
What are the key properties of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid?
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid has a molecular weight of 362.39 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;formic acid is sourced from PubChem (CID 163333985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).