N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine

C9H10N6 — CID 170855880

IUPACN-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine
SMILESNc1ccc(CNc2nncnn2)cc1
InChIInChI=1S/C9H10N6/c10-8-3-1-7(2-4-8)5-11-9-14-12-6-13-15-9/h1-4,6H,5,10H2,(H,11,14,15)
InChIKeyIUJZUNUHDGTKIO-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.46
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine

N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine (PubChem CID 170855880) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine
PubChem CID170855880
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC NameN-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine
SMILESNc1ccc(CNc2nncnn2)cc1
InChIInChI=1S/C9H10N6/c10-8-3-1-7(2-4-8)5-11-9-14-12-6-13-15-9/h1-4,6H,5,10H2,(H,11,14,15)
InChIKeyIUJZUNUHDGTKIO-UHFFFAOYSA-N
XLogP0.46
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1,2,4,5-tetrazin-3-amine
CID 66725267
N-[(4-aminophenyl)methyl]pyridazin-3-amine
CID 62482247
N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860362
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-[(4-aminophenyl)methyl]-1,2-oxazol-3-amine
CID 82669485
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11546096
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033
N-[(4-aminophenyl)methyl]thiophen-2-amine
CID 115212336
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine (CID 170855880) is N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine is Nc1ccc(CNc2nncnn2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine?
The InChIKey is IUJZUNUHDGTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-8-3-1-7(2-4-8)5-11-9-14-12-6-13-15-9/h1-4,6H,5,10H2,(H,11,14,15).
What are the key properties of N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine?
N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine has a molecular weight of 202.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 170855880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).