8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H24N4O — CID 66629536

IUPAC8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(C)c(C2CCCn3nc(N)nc32)cc1C(C)C
InChIInChI=1S/C17H24N4O/c1-10(2)13-9-14(11(3)8-15(13)22-4)12-6-5-7-21-16(12)19-17(18)20-21/h8-10,12H,5-7H2,1-4H3,(H2,18,20)
InChIKeyMKHQYXOCMGDXIO-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.23
Rot. Bonds3

About 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 66629536) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID66629536
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(C)c(C2CCCn3nc(N)nc32)cc1C(C)C
InChIInChI=1S/C17H24N4O/c1-10(2)13-9-14(11(3)8-15(13)22-4)12-6-5-7-21-16(12)19-17(18)20-21/h8-10,12H,5-7H2,1-4H3,(H2,18,20)
InChIKeyMKHQYXOCMGDXIO-UHFFFAOYSA-N
XLogP3.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 66629536) is 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(C)c(C2CCCn3nc(N)nc32)cc1C(C)C.
What is the InChIKey of 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MKHQYXOCMGDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-10(2)13-9-14(11(3)8-15(13)22-4)12-6-5-7-21-16(12)19-17(18)20-21/h8-10,12H,5-7H2,1-4H3,(H2,18,20).
What are the key properties of 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 66629536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).