5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H20N8 — CID 56777998

IUPAC5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(N2CCCC(Nc3cc(C)nc4ncnn34)C2)nn1
InChIInChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)23-7-3-4-13(9-23)20-15-8-12(2)19-16-17-10-18-24(15)16/h5-6,8,10,13,20H,3-4,7,9H2,1-2H3
InChIKeyDOYXFTFTJDBNQJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.61
Rot. Bonds3

About 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56777998) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56777998
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(N2CCCC(Nc3cc(C)nc4ncnn34)C2)nn1
InChIInChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)23-7-3-4-13(9-23)20-15-8-12(2)19-16-17-10-18-24(15)16/h5-6,8,10,13,20H,3-4,7,9H2,1-2H3
InChIKeyDOYXFTFTJDBNQJ-UHFFFAOYSA-N
XLogP1.61
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133358064
5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956607
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95342810
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 154737129
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133330058

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56777998) is 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(N2CCCC(Nc3cc(C)nc4ncnn34)C2)nn1.
What is the InChIKey of 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DOYXFTFTJDBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)23-7-3-4-13(9-23)20-15-8-12(2)19-16-17-10-18-24(15)16/h5-6,8,10,13,20H,3-4,7,9H2,1-2H3.
What are the key properties of 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 324.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56777998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).