6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine

C12H11N7 — CID 142770808

IUPAC6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine
SMILESC=CCNc1nnc(-n2ncc3ccccc32)nn1
InChIInChI=1S/C12H11N7/c1-2-7-13-11-15-17-12(18-16-11)19-10-6-4-3-5-9(10)8-14-19/h2-6,8H,1,7H2,(H,13,15,16)
InChIKeyWTKGWTBRAUZJGT-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.20
Rot. Bonds4

About 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine

6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine (PubChem CID 142770808) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound Name6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine
PubChem CID142770808
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine
SMILESC=CCNc1nnc(-n2ncc3ccccc32)nn1
InChIInChI=1S/C12H11N7/c1-2-7-13-11-15-17-12(18-16-11)19-10-6-4-3-5-9(10)8-14-19/h2-6,8H,1,7H2,(H,13,15,16)
InChIKeyWTKGWTBRAUZJGT-UHFFFAOYSA-N
XLogP1.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-prop-2-enylphenyl)indazole
CID 102233917
3-N,6-N-bis(prop-2-enyl)-1,2,4,5-tetrazine-3,6-diamine
CID 535108
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
1-(1H-1,2,4-triazol-5-yl)indazole
CID 21092563
(2-indazol-1-ylquinolin-3-yl)methanamine
CID 62140579
N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
1-(6-indazol-1-ylpyridazin-3-yl)-N-methylmethanamine
CID 55059216
5-N-benzyl-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939697
(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine
CID 83189252
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
N-methylindazol-1-amine
CID 15129846
N-prop-2-enylcinnolin-3-amine
CID 69404307

Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine (CID 142770808) is 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine is C=CCNc1nnc(-n2ncc3ccccc32)nn1.
What is the InChIKey of 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is WTKGWTBRAUZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-2-7-13-11-15-17-12(18-16-11)19-10-6-4-3-5-9(10)8-14-19/h2-6,8H,1,7H2,(H,13,15,16).
What are the key properties of 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine?
6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 253.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-N-prop-2-enyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 142770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).