[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

C14H20N8O — CID 154820826

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
SMILESNc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1
InChIInChI=1S/C14H20N8O/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/h8-10H,1-7H2,(H3,15,18,19,20)
InChIKeyLGQOFRGDOHVETI-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.05
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

[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 (PubChem CID 154820826) has the molecular formula C14H20N8O and a molecular weight of 316.37 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.

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
PubChem CID154820826
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
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
SMILESNc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1
InChIInChI=1S/C14H20N8O/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/h8-10H,1-7H2,(H3,15,18,19,20)
InChIKeyLGQOFRGDOHVETI-UHFFFAOYSA-N
XLogP-0.05
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 with MolForge

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Related Compounds

N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide acetate
CID 155499282
2-(3-{[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}-1-piperidinyl)acetamide
CID 70750003
1-isopropyl-3-{[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}piperidine
CID 72905478
1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72915382
1-cyclopentyl-3-{[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}piperidine
CID 72922279
3-(4H-1,2,4-triazol-3-yl)-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]piperidine
CID 90652253
1-[3-(1H-tetrazol-1-yl)propanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 90653500
2-[(3R)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97134026
2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97134027
[(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97147883
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97147884
[(3S)-1-propan-2-ylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97280384

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?
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 (CID 154820826) 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.
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?
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 is Nc1n[nH]c(C2CCN(C(=O)C3CCc4ncnn4C3)CC2)n1.
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?
The InChIKey is LGQOFRGDOHVETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/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/h8-10H,1-7H2,(H3,15,18,19,20).
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?
[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 has a molecular weight of 316.37 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 154820826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).