4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine

C12H18N4S — CID 62711251

IUPAC4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nncn2CC(C)C)c1C
InChIInChI=1S/C12H18N4S/c1-7(2)5-16-6-14-15-12(16)10-8(3)9(4)17-11(10)13/h6-7H,5,13H2,1-4H3
InChIKeyHAPYGOXWOKKFJN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.86
Rot. Bonds3

About 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine

4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine (PubChem CID 62711251) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
PubChem CID62711251
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nncn2CC(C)C)c1C
InChIInChI=1S/C12H18N4S/c1-7(2)5-16-6-14-15-12(16)10-8(3)9(4)17-11(10)13/h6-7H,5,13H2,1-4H3
InChIKeyHAPYGOXWOKKFJN-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine (CID 62711251) is 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine is Cc1sc(N)c(-c2nncn2CC(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine?
The InChIKey is HAPYGOXWOKKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-7(2)5-16-6-14-15-12(16)10-8(3)9(4)17-11(10)13/h6-7H,5,13H2,1-4H3.
What are the key properties of 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine?
4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine is sourced from PubChem (CID 62711251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).