8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C18H20N4O3 — CID 166304229

IUPAC8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)C1CCn3ncnc3C1)CCC2
InChIInChI=1S/C18H20N4O3/c23-17(12-6-7-22-16(9-12)19-10-20-22)21-15-3-1-2-11-4-5-13(18(24)25)8-14(11)15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,21,23)(H,24,25)
InChIKeyQKFOSOYXSHNVIT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.73
Rot. Bonds3

About 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 166304229) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID166304229
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)C1CCn3ncnc3C1)CCC2
InChIInChI=1S/C18H20N4O3/c23-17(12-6-7-22-16(9-12)19-10-20-22)21-15-3-1-2-11-4-5-13(18(24)25)8-14(11)15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,21,23)(H,24,25)
InChIKeyQKFOSOYXSHNVIT-UHFFFAOYSA-N
XLogP1.73
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid with MolForge

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Related Compounds

(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
8-[(8-chloroisoquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167753842
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
N-[7-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 56941149
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621

Frequently Asked Questions

What is the IUPAC name of 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 166304229) is 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(NC(=O)C1CCn3ncnc3C1)CCC2.
What is the InChIKey of 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QKFOSOYXSHNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(12-6-7-22-16(9-12)19-10-20-22)21-15-3-1-2-11-4-5-13(18(24)25)8-14(11)15/h4-5,8,10,12,15H,1-3,6-7,9H2,(H,21,23)(H,24,25).
What are the key properties of 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carbonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 166304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).