3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine

C10H16N6 — CID 115898011

IUPAC3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cnnn1C
InChIInChI=1S/C10H16N6/c1-4-9-10(7-15(2)13-9)11-5-8-6-12-14-16(8)3/h6-7,11H,4-5H2,1-3H3
InChIKeyOCUPSPZPLJXGLJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.72
Rot. Bonds4

About 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 115898011) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
PubChem CID115898011
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cnnn1C
InChIInChI=1S/C10H16N6/c1-4-9-10(7-15(2)13-9)11-5-8-6-12-14-16(8)3/h6-7,11H,4-5H2,1-3H3
InChIKeyOCUPSPZPLJXGLJ-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine (CID 115898011) is 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine is CCc1nn(C)cc1NCc1cnnn1C.
What is the InChIKey of 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is OCUPSPZPLJXGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-9-10(7-15(2)13-9)11-5-8-6-12-14-16(8)3/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 115898011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).