6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C17H27N7 — CID 167870502

IUPAC6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1c(C2CCc3nncn3C2)nnc1N1CCC(C(C)(C)C)C1
InChIInChI=1S/C17H27N7/c1-17(2,3)13-7-8-23(10-13)16-21-20-15(22(16)4)12-5-6-14-19-18-11-24(14)9-12/h11-13H,5-10H2,1-4H3
InChIKeyPFYBMHNMJZQQNS-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.01
Rot. Bonds2

About 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 167870502) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID167870502
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1c(C2CCc3nncn3C2)nnc1N1CCC(C(C)(C)C)C1
InChIInChI=1S/C17H27N7/c1-17(2,3)13-7-8-23(10-13)16-21-20-15(22(16)4)12-5-6-14-19-18-11-24(14)9-12/h11-13H,5-10H2,1-4H3
InChIKeyPFYBMHNMJZQQNS-UHFFFAOYSA-N
XLogP2.01
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole formate
CID 154565305
6-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 129061172
8-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 146338795
7-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 146338797
7-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146338900
5-Tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146338901
8-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146338904
6-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 153319581
7-(2-Methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 155466793
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 158002605
1-(cyclopentylmethyl)-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72842730
4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(3-methylbutyl)piperidine
CID 72846259

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 167870502) is 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cn1c(C2CCc3nncn3C2)nnc1N1CCC(C(C)(C)C)C1.
What is the InChIKey of 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PFYBMHNMJZQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-17(2,3)13-7-8-23(10-13)16-21-20-15(22(16)4)12-5-6-14-19-18-11-24(14)9-12/h11-13H,5-10H2,1-4H3.
What are the key properties of 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 329.45 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 167870502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).