N-methylsulfanylimidazo[1,5-a]pyridin-7-amine

C8H9N3S — CID 146317882

IUPACN-methylsulfanylimidazo[1,5-a]pyridin-7-amine
SMILESCSNc1ccn2cncc2c1
InChIInChI=1S/C8H9N3S/c1-12-10-7-2-3-11-6-9-5-8(11)4-7/h2-6,10H,1H3
InChIKeyGVXYZZHJXMPDMZ-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.02
Rot. Bonds2

About N-methylsulfanylimidazo[1,5-a]pyridin-7-amine

N-methylsulfanylimidazo[1,5-a]pyridin-7-amine (PubChem CID 146317882) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-methylsulfanylimidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-methylsulfanylimidazo[1,5-a]pyridin-7-amine
PubChem CID146317882
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-methylsulfanylimidazo[1,5-a]pyridin-7-amine
SMILESCSNc1ccn2cncc2c1
InChIInChI=1S/C8H9N3S/c1-12-10-7-2-3-11-6-9-5-8(11)4-7/h2-6,10H,1H3
InChIKeyGVXYZZHJXMPDMZ-UHFFFAOYSA-N
XLogP2.02
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfanylimidazo[1,5-a]pyridin-7-amine?
The IUPAC name of N-methylsulfanylimidazo[1,5-a]pyridin-7-amine (CID 146317882) is N-methylsulfanylimidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-methylsulfanylimidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-methylsulfanylimidazo[1,5-a]pyridin-7-amine is CSNc1ccn2cncc2c1.
What is the InChIKey of N-methylsulfanylimidazo[1,5-a]pyridin-7-amine?
The InChIKey is GVXYZZHJXMPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-12-10-7-2-3-11-6-9-5-8(11)4-7/h2-6,10H,1H3.
What are the key properties of N-methylsulfanylimidazo[1,5-a]pyridin-7-amine?
N-methylsulfanylimidazo[1,5-a]pyridin-7-amine has a molecular weight of 179.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanylimidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 146317882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).