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

C18H12N6S — CID 58189625

IUPACN-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESc1cncc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)c1
InChIInChI=1S/C18H12N6S/c1-4-12-15(13(5-1)17-20-10-21-24-17)23-18(14-6-8-25-16(12)14)22-11-3-2-7-19-9-11/h1-10H,(H,22,23)(H,20,21,24)
InChIKeyBHNFVXISRPMSCV-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.37
Rot. Bonds3

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

N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 58189625) has the molecular formula C18H12N6S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID58189625
Molecular FormulaC18H12N6S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC NameN-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESc1cncc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)c1
InChIInChI=1S/C18H12N6S/c1-4-12-15(13(5-1)17-20-10-21-24-17)23-18(14-6-8-25-16(12)14)22-11-3-2-7-19-9-11/h1-10H,(H,22,23)(H,20,21,24)
InChIKeyBHNFVXISRPMSCV-UHFFFAOYSA-N
XLogP4.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 58189625) is N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is c1cncc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)c1.
What is the InChIKey of N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is BHNFVXISRPMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S/c1-4-12-15(13(5-1)17-20-10-21-24-17)23-18(14-6-8-25-16(12)14)22-11-3-2-7-19-9-11/h1-10H,(H,22,23)(H,20,21,24).
What are the key properties of N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 344.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 58189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).