5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine

C11H18N6S — CID 165485126

IUPAC5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine
SMILESCC(C)SCCn1nnc(N)c1-c1ccnn1C
InChIInChI=1S/C11H18N6S/c1-8(2)18-7-6-17-10(11(12)14-15-17)9-4-5-13-16(9)3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyRDQJEUMPUBPJFT-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.40
Rot. Bonds5

About 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine

5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine (PubChem CID 165485126) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine
PubChem CID165485126
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine
SMILESCC(C)SCCn1nnc(N)c1-c1ccnn1C
InChIInChI=1S/C11H18N6S/c1-8(2)18-7-6-17-10(11(12)14-15-17)9-4-5-13-16(9)3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyRDQJEUMPUBPJFT-UHFFFAOYSA-N
XLogP1.40
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165474795
1-[(2-methylcyclopropyl)methyl]-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165485081
5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine
CID 165474811
[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474730
[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474789
1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458
5-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazol-4-amine
CID 103019252
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
CID 125424019
3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazol-4-amine
CID 106758620
1-butan-2-yl-5-(2-methylpyrazol-3-yl)triazole-4-carboxylic acid
CID 165474487
3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
CID 155683259

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine (CID 165485126) is 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine is CC(C)SCCn1nnc(N)c1-c1ccnn1C.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine?
The InChIKey is RDQJEUMPUBPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-8(2)18-7-6-17-10(11(12)14-15-17)9-4-5-13-16(9)3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine?
5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine has a molecular weight of 266.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine is sourced from PubChem (CID 165485126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).