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

C13H18N8O — CID 154817993

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCc2ncnn2C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C13H18N8O/c22-12(10-1-2-11-14-9-17-21(11)7-10)19-3-5-20(6-4-19)13-15-8-16-18-13/h8-10H,1-7H2,(H,15,16,18)
InChIKeyFLDWKGSQLPHTNU-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.69
Rot. Bonds2

About 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

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 (PubChem CID 154817993) has the molecular formula C13H18N8O and a molecular weight of 302.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID154817993
Molecular FormulaC13H18N8O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCc2ncnn2C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C13H18N8O/c22-12(10-1-2-11-14-9-17-21(11)7-10)19-3-5-20(6-4-19)13-15-8-16-18-13/h8-10H,1-7H2,(H,15,16,18)
InChIKeyFLDWKGSQLPHTNU-UHFFFAOYSA-N
XLogP-0.69
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
1'-methyl-N-(1H-1,2,4-triazol-3-ylmethyl)-1,4'-bipiperidine-3-carboxamide
CID 56865948
1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
CID 64510102
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl(piperidin-3-yl)methanone
CID 64577704
2-(3-{[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}-1-piperidinyl)acetamide
CID 70750003
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
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[(3S)-piperidin-3-yl]methanone
CID 81140563
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[(3R)-piperidin-3-yl]methanone
CID 81140707
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
(3S)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509746

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 154817993) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C1CCc2ncnn2C1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 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?
The InChIKey is FLDWKGSQLPHTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O/c22-12(10-1-2-11-14-9-17-21(11)7-10)19-3-5-20(6-4-19)13-15-8-16-18-13/h8-10H,1-7H2,(H,15,16,18).
What are the key properties of 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?
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 has a molecular weight of 302.34 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154817993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).