5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine

C12H16N4S — CID 79548372

IUPAC5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine
SMILESCCc1ccc(Cn2nnc(N)c2C2CC2)s1
InChIInChI=1S/C12H16N4S/c1-2-9-5-6-10(17-9)7-16-11(8-3-4-8)12(13)14-15-16/h5-6,8H,2-4,7,13H2,1H3
InChIKeyRHDDIDXURACFIW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds4

About 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine

5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine (PubChem CID 79548372) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine
PubChem CID79548372
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine
SMILESCCc1ccc(Cn2nnc(N)c2C2CC2)s1
InChIInChI=1S/C12H16N4S/c1-2-9-5-6-10(17-9)7-16-11(8-3-4-8)12(13)14-15-16/h5-6,8H,2-4,7,13H2,1H3
InChIKeyRHDDIDXURACFIW-UHFFFAOYSA-N
XLogP2.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine (CID 79548372) is 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine is CCc1ccc(Cn2nnc(N)c2C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine?
The InChIKey is RHDDIDXURACFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-9-5-6-10(17-9)7-16-11(8-3-4-8)12(13)14-15-16/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine?
5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).