N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine

C13H10N4S — CID 58824893

IUPACN-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine
SMILESc1cncc(Nc2n[nH]c3c2Cc2sccc2-3)c1
InChIInChI=1S/C13H10N4S/c1-2-8(7-14-4-1)15-13-10-6-11-9(3-5-18-11)12(10)16-17-13/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyAWEKXURSWVLUPR-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.18
Rot. Bonds2

About N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine

N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine (PubChem CID 58824893) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine
PubChem CID58824893
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC NameN-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine
SMILESc1cncc(Nc2n[nH]c3c2Cc2sccc2-3)c1
InChIInChI=1S/C13H10N4S/c1-2-8(7-14-4-1)15-13-10-6-11-9(3-5-18-11)12(10)16-17-13/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyAWEKXURSWVLUPR-UHFFFAOYSA-N
XLogP3.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine
CID 71815573
N-phenyl-4,5-dihydro-1H-thieno[2,3-g]indazol-3-amine
CID 18445647
6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445815
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
N-pyridin-3-ylthiadiazol-5-amine
CID 12638188
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
5-amino-2,3-dihydroinden-1-one;3-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazole-3,6-diamine
CID 160958521
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine?
The IUPAC name of N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine (CID 58824893) is N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine.
What is the SMILES notation for N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine?
The canonical SMILES for N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine is c1cncc(Nc2n[nH]c3c2Cc2sccc2-3)c1.
What is the InChIKey of N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine?
The InChIKey is AWEKXURSWVLUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-8(7-14-4-1)15-13-10-6-11-9(3-5-18-11)12(10)16-17-13/h1-5,7H,6H2,(H2,15,16,17).
What are the key properties of N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine?
N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine has a molecular weight of 254.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine is sourced from PubChem (CID 58824893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).