4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C12H18N6O — CID 80854145

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N6O/c1-5-6-19-12-15-10(13-4)14-11(16-12)18-9(3)7-8(2)17-18/h7H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyCNQSQAUMTPFLQW-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.50
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80854145) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80854145
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N6O/c1-5-6-19-12-15-10(13-4)14-11(16-12)18-9(3)7-8(2)17-18/h7H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyCNQSQAUMTPFLQW-UHFFFAOYSA-N
XLogP1.50
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853145
4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 82698976
4-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80828072
4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80856196
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901059
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 655127
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80854145) is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is CNQSQAUMTPFLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-5-6-19-12-15-10(13-4)14-11(16-12)18-9(3)7-8(2)17-18/h7H,5-6H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80854145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).