7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid

C8H11N3O2 — CID 83816985

IUPAC7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nnn21
InChIInChI=1S/C8H11N3O2/c1-5-3-2-4-6-7(8(12)13)9-10-11(5)6/h5H,2-4H2,1H3,(H,12,13)
InChIKeyJXMYIKAWSSCCNS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.87
Rot. Bonds1

About 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid

7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 83816985) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID83816985
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nnn21
InChIInChI=1S/C8H11N3O2/c1-5-3-2-4-6-7(8(12)13)9-10-11(5)6/h5H,2-4H2,1H3,(H,12,13)
InChIKeyJXMYIKAWSSCCNS-UHFFFAOYSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62054360
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247597
5-(aminomethyl)-1-(4-methylcyclohexyl)triazole-4-carboxylic acid
CID 103121955
1-cyclopentyl-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644673
1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid
CID 62054199
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylic acid
CID 64739872
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557
4-amino-1-(3-amino-3-oxopropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 82592687
3-(furan-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247687
5-cyclopropyl-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 63937127

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid (CID 83816985) is 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid is CC1CCCc2c(C(=O)O)nnn21.
What is the InChIKey of 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is JXMYIKAWSSCCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-3-2-4-6-7(8(12)13)9-10-11(5)6/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid?
7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).