2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine

C21H34N6 — CID 166320988

IUPAC2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCn2cc(-c3nc(CC4CCCCC4)nn3CCN(C)C)nc2C1
InChIInChI=1S/C21H34N6/c1-16-9-10-26-15-18(22-20(26)13-16)21-23-19(14-17-7-5-4-6-8-17)24-27(21)12-11-25(2)3/h15-17H,4-14H2,1-3H3
InChIKeyDHQUHAYXEYJAMQ-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.41
Rot. Bonds6

About 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine

2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine (PubChem CID 166320988) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine
PubChem CID166320988
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCn2cc(-c3nc(CC4CCCCC4)nn3CCN(C)C)nc2C1
InChIInChI=1S/C21H34N6/c1-16-9-10-26-15-18(22-20(26)13-16)21-23-19(14-17-7-5-4-6-8-17)24-27(21)12-11-25(2)3/h15-17H,4-14H2,1-3H3
InChIKeyDHQUHAYXEYJAMQ-UHFFFAOYSA-N
XLogP3.41
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

7-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467524
7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467525
7-(cyclohexylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471177
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
N-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128967126
N-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342305
N-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342306
8-(1-Methyltriazol-4-yl)-2,4,7,9,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5,8-triene
CID 54092479
7-Cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazin
CID 86631918
7-Octan-2-ylimidazo[5,1-f][1,2,4]triazine
CID 137510746
3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 159697144
7-Heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 167169930

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine (CID 166320988) is 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine is CC1CCn2cc(-c3nc(CC4CCCCC4)nn3CCN(C)C)nc2C1.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DHQUHAYXEYJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-16-9-10-26-15-18(22-20(26)13-16)21-23-19(14-17-7-5-4-6-8-17)24-27(21)12-11-25(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine?
2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 370.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-5-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-triazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166320988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).