8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H18N6O — CID 82557765

IUPAC8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CCC(c2cnn(-c3ccccc3)c2)n2nc(N)nc21
InChIInChI=1S/C16H18N6O/c1-23-14-8-7-13(22-15(14)19-16(17)20-22)11-9-18-21(10-11)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H2,17,20)
InChIKeyUDPYNCATVXKMGO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.12
Rot. Bonds3

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

8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557765) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557765
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CCC(c2cnn(-c3ccccc3)c2)n2nc(N)nc21
InChIInChI=1S/C16H18N6O/c1-23-14-8-7-13(22-15(14)19-16(17)20-22)11-9-18-21(10-11)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H2,17,20)
InChIKeyUDPYNCATVXKMGO-UHFFFAOYSA-N
XLogP2.12
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557769
7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557096
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498550
(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 58126784
2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
CID 81414983
(5R,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135778743
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
CID 114239573
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
4-(4-nitropyrazolidin-3-yl)-1-phenylpyrazole
CID 78200143

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557765) is 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC1CCC(c2cnn(-c3ccccc3)c2)n2nc(N)nc21.
What is the InChIKey of 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UDPYNCATVXKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-23-14-8-7-13(22-15(14)19-16(17)20-22)11-9-18-21(10-11)12-5-3-2-4-6-12/h2-6,9-10,13-14H,7-8H2,1H3,(H2,17,20).
What are the key properties of 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).