1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine

C10H16N6 — CID 79542639

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(C)nn1C
InChIInChI=1S/C10H16N6/c1-4-9-10(11)12-14-16(9)6-8-5-7(2)13-15(8)3/h5H,4,6,11H2,1-3H3
InChIKeyCEIUOLZXZZDGPA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.51
Rot. Bonds3

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine

1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79542639) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
PubChem CID79542639
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1cc(C)nn1C
InChIInChI=1S/C10H16N6/c1-4-9-10(11)12-14-16(9)6-8-5-7(2)13-15(8)3/h5H,4,6,11H2,1-3H3
InChIKeyCEIUOLZXZZDGPA-UHFFFAOYSA-N
XLogP0.51
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine (CID 79542639) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is CEIUOLZXZZDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-9-10(11)12-14-16(9)6-8-5-7(2)13-15(8)3/h5H,4,6,11H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79542639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).