(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine

C13H13N5S — CID 82270494

IUPAC(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
SMILESNNc1c2c(nc3cc(-c4cccs4)nn13)CCC2
InChIInChI=1S/C13H13N5S/c14-16-13-8-3-1-4-9(8)15-12-7-10(17-18(12)13)11-5-2-6-19-11/h2,5-7,16H,1,3-4,14H2
InChIKeyUCEWNNJWCHEQRR-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.23
Rot. Bonds2

About (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine

(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine (PubChem CID 82270494) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine.

Molecular Properties

Compound Name(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
PubChem CID82270494
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
SMILESNNc1c2c(nc3cc(-c4cccs4)nn13)CCC2
InChIInChI=1S/C13H13N5S/c14-16-13-8-3-1-4-9(8)15-12-7-10(17-18(12)13)11-5-2-6-19-11/h2,5-7,16H,1,3-4,14H2
InChIKeyUCEWNNJWCHEQRR-UHFFFAOYSA-N
XLogP2.23
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)amino]ethylazanium
CID 7435463
2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
CID 3230171
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
[2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]hydrazine
CID 82270516
11-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 1434776
7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514726
7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514718
11-methyl-N-(pyridin-3-ylmethyl)-10-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 16668160
3-[[2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]amino]propan-1-ol
CID 3596340
3-[(2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]propan-1-ol
CID 16668170
4-thiophen-2-yl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 137004242
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997

Frequently Asked Questions

What is the IUPAC name of (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine?
The IUPAC name of (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine (CID 82270494) is (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine.
What is the SMILES notation for (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine?
The canonical SMILES for (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine is NNc1c2c(nc3cc(-c4cccs4)nn13)CCC2.
What is the InChIKey of (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine?
The InChIKey is UCEWNNJWCHEQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c14-16-13-8-3-1-4-9(8)15-12-7-10(17-18(12)13)11-5-2-6-19-11/h2,5-7,16H,1,3-4,14H2.
What are the key properties of (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine?
(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine has a molecular weight of 271.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine is sourced from PubChem (CID 82270494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).