N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine

C17H14N6OS — CID 10132590

IUPACN-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
SMILESCOc1cccc(Sc2nncc(Nc3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C17H14N6OS/c1-24-11-5-4-6-12(9-11)25-17-20-15(10-18-23-17)19-16-13-7-2-3-8-14(13)21-22-16/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyKQVNVZGSDZDUIU-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.65
Rot. Bonds5

About N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine

N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine (PubChem CID 10132590) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
PubChem CID10132590
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
SMILESCOc1cccc(Sc2nncc(Nc3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C17H14N6OS/c1-24-11-5-4-6-12(9-11)25-17-20-15(10-18-23-17)19-16-13-7-2-3-8-14(13)21-22-16/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyKQVNVZGSDZDUIU-UHFFFAOYSA-N
XLogP3.65
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine?
The IUPAC name of N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine (CID 10132590) is N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine is COc1cccc(Sc2nncc(Nc3n[nH]c4ccccc34)n2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine?
The InChIKey is KQVNVZGSDZDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-24-11-5-4-6-12(9-11)25-17-20-15(10-18-23-17)19-16-13-7-2-3-8-14(13)21-22-16/h2-10H,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine?
N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine has a molecular weight of 350.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10132590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).