2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine

C9H13N5S — CID 86795149

IUPAC2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1csc(CNc2nc(C)nn2C)n1
InChIInChI=1S/C9H13N5S/c1-6-5-15-8(11-6)4-10-9-12-7(2)13-14(9)3/h5H,4H2,1-3H3,(H,10,12,13)
InChIKeyHZSFYTOTNBKVNQ-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.50
Rot. Bonds3

About 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine

2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 86795149) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID86795149
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1csc(CNc2nc(C)nn2C)n1
InChIInChI=1S/C9H13N5S/c1-6-5-15-8(11-6)4-10-9-12-7(2)13-14(9)3/h5H,4H2,1-3H3,(H,10,12,13)
InChIKeyHZSFYTOTNBKVNQ-UHFFFAOYSA-N
XLogP1.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (CID 86795149) is 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is Cc1csc(CNc2nc(C)nn2C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is HZSFYTOTNBKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-5-15-8(11-6)4-10-9-12-7(2)13-14(9)3/h5H,4H2,1-3H3,(H,10,12,13).
What are the key properties of 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 223.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).