1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine

C10H16N6 — CID 107464601

IUPAC1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-n1cc(CNC)nn1
InChIInChI=1S/C10H16N6/c1-4-9-10(7-15(3)13-9)16-6-8(5-11-2)12-14-16/h6-7,11H,4-5H2,1-3H3
InChIKeyFBCGAPZLHJNENJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.28
Rot. Bonds4

About 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine

1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine (PubChem CID 107464601) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine
PubChem CID107464601
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-n1cc(CNC)nn1
InChIInChI=1S/C10H16N6/c1-4-9-10(7-15(3)13-9)16-6-8(5-11-2)12-14-16/h6-7,11H,4-5H2,1-3H3
InChIKeyFBCGAPZLHJNENJ-UHFFFAOYSA-N
XLogP0.28
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107465069
N-methyl-1-[1-(1-methylpyrazol-4-yl)triazol-4-yl]methanamine
CID 79787053
1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206463
1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206874
1-[1-(2,5-dibromophenyl)triazol-4-yl]-N-methylmethanamine
CID 66204877
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 165477311
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylpiperidin-4-amine
CID 107463346
1-[1-(2-chloro-5-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107531115
2-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazol-4-yl]ethanol
CID 114262782
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
N-methyl-1-[1-(2-methyl-4-nitrophenyl)triazol-4-yl]methanamine
CID 66205884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine (CID 107464601) is 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine is CCc1nn(C)cc1-n1cc(CNC)nn1.
What is the InChIKey of 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is FBCGAPZLHJNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-9-10(7-15(3)13-9)16-6-8(5-11-2)12-14-16/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine?
1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107464601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).