N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

C16H13N5S — CID 51036856

IUPACN-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESc1cc(-c2ncn[nH]2)c2nc(NC3CC3)c3ccsc3c2c1
InChIInChI=1S/C16H13N5S/c1-2-10-13(11(3-1)15-17-8-18-21-15)20-16(19-9-4-5-9)12-6-7-22-14(10)12/h1-3,6-9H,4-5H2,(H,19,20)(H,17,18,21)
InChIKeyQSTDMPARCWMFIJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.81
Rot. Bonds3

About N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 51036856) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID51036856
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC NameN-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESc1cc(-c2ncn[nH]2)c2nc(NC3CC3)c3ccsc3c2c1
InChIInChI=1S/C16H13N5S/c1-2-10-13(11(3-1)15-17-8-18-21-15)20-16(19-9-4-5-9)12-6-7-22-14(10)12/h1-3,6-9H,4-5H2,(H,19,20)(H,17,18,21)
InChIKeyQSTDMPARCWMFIJ-UHFFFAOYSA-N
XLogP3.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 51036856) is N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is c1cc(-c2ncn[nH]2)c2nc(NC3CC3)c3ccsc3c2c1.
What is the InChIKey of N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is QSTDMPARCWMFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-2-10-13(11(3-1)15-17-8-18-21-15)20-16(19-9-4-5-9)12-6-7-22-14(10)12/h1-3,6-9H,4-5H2,(H,19,20)(H,17,18,21).
What are the key properties of N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 51036856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).