1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C14H24N6 — CID 105182099

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc(CC)nn1CC
InChIInChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-4)12-9-11(6-2)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3
InChIKeyVISQMRYHSGIVKW-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.78
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 105182099) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID105182099
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc(CC)nn1CC
InChIInChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-4)12-9-11(6-2)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3
InChIKeyVISQMRYHSGIVKW-UHFFFAOYSA-N
XLogP1.78
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1,3-diethylpyrazol-5-yl)-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213661
[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335521
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
[(1,3-diethylpyrazol-5-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337585
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105185920
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149904
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 105182099) is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is VISQMRYHSGIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-4)12-9-11(6-2)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 276.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105182099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).