[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C15H20N4O2 — CID 105392236

IUPAC[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(-c2nnc3n2CC(CN)CC3)c(OC)c1
InChIInChI=1S/C15H20N4O2/c1-20-11-4-5-12(13(7-11)21-2)15-18-17-14-6-3-10(8-16)9-19(14)15/h4-5,7,10H,3,6,8-9,16H2,1-2H3
InChIKeyMKJBZPKWIWRHHP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.48
Rot. Bonds4

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

[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 105392236) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID105392236
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(-c2nnc3n2CC(CN)CC3)c(OC)c1
InChIInChI=1S/C15H20N4O2/c1-20-11-4-5-12(13(7-11)21-2)15-18-17-14-6-3-10(8-16)9-19(14)15/h4-5,7,10H,3,6,8-9,16H2,1-2H3
InChIKeyMKJBZPKWIWRHHP-UHFFFAOYSA-N
XLogP1.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392157
[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392071
[3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392089
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205
[3-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392032
(2-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105488424
[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 102813277
(3-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392259
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796
[3-(1,3-dihydro-2-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392131
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 82568074
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 105392236) is [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is COc1ccc(-c2nnc3n2CC(CN)CC3)c(OC)c1.
What is the InChIKey of [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is MKJBZPKWIWRHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-11-4-5-12(13(7-11)21-2)15-18-17-14-6-3-10(8-16)9-19(14)15/h4-5,7,10H,3,6,8-9,16H2,1-2H3.
What are the key properties of [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 105392236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).