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

C12H18N6 — CID 82556997

IUPAC8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1C1CCCn2nc(N)nc21
InChIInChI=1S/C12H18N6/c1-7-10(8(2)17(3)15-7)9-5-4-6-18-11(9)14-12(13)16-18/h9H,4-6H2,1-3H3,(H2,13,16)
InChIKeyRCAAMAOSYXAATA-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.14
Rot. Bonds1

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

8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82556997) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82556997
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1C1CCCn2nc(N)nc21
InChIInChI=1S/C12H18N6/c1-7-10(8(2)17(3)15-7)9-5-4-6-18-11(9)14-12(13)16-18/h9H,4-6H2,1-3H3,(H2,13,16)
InChIKeyRCAAMAOSYXAATA-UHFFFAOYSA-N
XLogP1.14
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556987
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
4-methyl-6-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 95764333
1-methyl-4-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 176692221
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
8-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 66779286
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 97350142
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 124604355
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275

Frequently Asked Questions

What is the IUPAC name of 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82556997) is 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nn(C)c(C)c1C1CCCn2nc(N)nc21.
What is the InChIKey of 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RCAAMAOSYXAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-7-10(8(2)17(3)15-7)9-5-4-6-18-11(9)14-12(13)16-18/h9H,4-6H2,1-3H3,(H2,13,16).
What are the key properties of 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3,5-trimethylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82556997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).