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

C15H21N5 — CID 107078737

IUPAC3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nc2c(n1Cc1nnc3n1CCCC3)CCCC2
InChIInChI=1S/C15H21N5/c1-11-16-12-6-2-3-7-13(12)20(11)10-15-18-17-14-8-4-5-9-19(14)15/h2-10H2,1H3
InChIKeyRHWHEGHEHGQYPH-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.05
Rot. Bonds2

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

3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 107078737) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID107078737
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nc2c(n1Cc1nnc3n1CCCC3)CCCC2
InChIInChI=1S/C15H21N5/c1-11-16-12-6-2-3-7-13(12)20(11)10-15-18-17-14-8-4-5-9-19(14)15/h2-10H2,1H3
InChIKeyRHWHEGHEHGQYPH-UHFFFAOYSA-N
XLogP2.05
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
3-[(3,5-dimethylpyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113220710
3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149171
ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626506
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 107077895
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107078334
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-amine
CID 43356761

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 107078737) is 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1nc2c(n1Cc1nnc3n1CCCC3)CCCC2.
What is the InChIKey of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RHWHEGHEHGQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-16-12-6-2-3-7-13(12)20(11)10-15-18-17-14-8-4-5-9-19(14)15/h2-10H2,1H3.
What are the key properties of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 271.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 107078737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).