1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine

C11H18N6S — CID 55260401

IUPAC1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine
SMILESCc1nc(Sc2c(CC(C)N)c(C)nn2C)n[nH]1
InChIInChI=1S/C11H18N6S/c1-6(12)5-9-7(2)16-17(4)10(9)18-11-13-8(3)14-15-11/h6H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyPXZASUXNZRTGCH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.20
Rot. Bonds4

About 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine

1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine (PubChem CID 55260401) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine
PubChem CID55260401
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine
SMILESCc1nc(Sc2c(CC(C)N)c(C)nn2C)n[nH]1
InChIInChI=1S/C11H18N6S/c1-6(12)5-9-7(2)16-17(4)10(9)18-11-13-8(3)14-15-11/h6H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyPXZASUXNZRTGCH-UHFFFAOYSA-N
XLogP1.20
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine (CID 55260401) is 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine is Cc1nc(Sc2c(CC(C)N)c(C)nn2C)n[nH]1.
What is the InChIKey of 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine?
The InChIKey is PXZASUXNZRTGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-6(12)5-9-7(2)16-17(4)10(9)18-11-13-8(3)14-15-11/h6H,5,12H2,1-4H3,(H,13,14,15).
What are the key properties of 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine?
1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 55260401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).