3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine

C9H13N5S — CID 79391456

IUPAC3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
SMILESCCCc1nc(-c2c(C)nsc2N)n[nH]1
InChIInChI=1S/C9H13N5S/c1-3-4-6-11-9(13-12-6)7-5(2)14-15-8(7)10/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyUDFQQHTXBSUFOF-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine

3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine (PubChem CID 79391456) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
PubChem CID79391456
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
SMILESCCCc1nc(-c2c(C)nsc2N)n[nH]1
InChIInChI=1S/C9H13N5S/c1-3-4-6-11-9(13-12-6)7-5(2)14-15-8(7)10/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyUDFQQHTXBSUFOF-UHFFFAOYSA-N
XLogP1.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine (CID 79391456) is 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine is CCCc1nc(-c2c(C)nsc2N)n[nH]1.
What is the InChIKey of 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The InChIKey is UDFQQHTXBSUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-4-6-11-9(13-12-6)7-5(2)14-15-8(7)10/h3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine has a molecular weight of 223.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 79391456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).