[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine

C16H22N4O — CID 107076318

IUPAC[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1nnc2n1CCCC2
InChIInChI=1S/C16H22N4O/c1-11-7-13(9-17)8-12(2)16(11)21-10-15-19-18-14-5-3-4-6-20(14)15/h7-8H,3-6,9-10,17H2,1-2H3
InChIKeyGRVKBYBRKQZDSS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.27
Rot. Bonds4

About [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine

[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine (PubChem CID 107076318) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
PubChem CID107076318
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1nnc2n1CCCC2
InChIInChI=1S/C16H22N4O/c1-11-7-13(9-17)8-12(2)16(11)21-10-15-19-18-14-5-3-4-6-20(14)15/h7-8H,3-6,9-10,17H2,1-2H3
InChIKeyGRVKBYBRKQZDSS-UHFFFAOYSA-N
XLogP2.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine with MolForge

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Related Compounds

(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(Z)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369087
[7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 46965858
[7-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 46965880
[7-[(5-tert-butyl-2-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 46965942
(5-{[1-(4-isopropoxybenzyl)piperidin-4-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 50953741
7-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53572933
3-methyl-7-[2-(2-methylphenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53578442
1-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929246
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 72141684
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 72141723

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine (CID 107076318) is [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine is Cc1cc(CN)cc(C)c1OCc1nnc2n1CCCC2.
What is the InChIKey of [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine?
The InChIKey is GRVKBYBRKQZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-7-13(9-17)8-12(2)16(11)21-10-15-19-18-14-5-3-4-6-20(14)15/h7-8H,3-6,9-10,17H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine?
[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107076318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).