1,2,4-benzotriazin-6-amine;ethane

C9H12N4 — CID 145271265

IUPAC1,2,4-benzotriazin-6-amine;ethane
SMILESCC.Nc1ccc2nncnc2c1
InChIInChI=1S/C7H6N4.C2H6/c8-5-1-2-6-7(3-5)9-4-10-11-6;1-2/h1-4H,8H2;1-2H3
InChIKeyUAKMTAKXZJMRRY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.63
Rot. Bonds

About 1,2,4-benzotriazin-6-amine;ethane

1,2,4-benzotriazin-6-amine;ethane (PubChem CID 145271265) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,2,4-benzotriazin-6-amine;ethane.

Molecular Properties

Compound Name1,2,4-benzotriazin-6-amine;ethane
PubChem CID145271265
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1,2,4-benzotriazin-6-amine;ethane
SMILESCC.Nc1ccc2nncnc2c1
InChIInChI=1S/C7H6N4.C2H6/c8-5-1-2-6-7(3-5)9-4-10-11-6;1-2/h1-4H,8H2;1-2H3
InChIKeyUAKMTAKXZJMRRY-UHFFFAOYSA-N
XLogP1.63
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-methyl-1,2,4-benzotriazine
CID 145271203
ethane;quinoxalin-6-amine
CID 143926479
4-methylquinazolin-7-amine
CID 90920738
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
methanethiol;quinazolin-7-amine
CID 156844903
phenazine-2,3,7-triamine
CID 13244876
ethane;2-methylindazol-6-amine
CID 178017314
4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65336645
4-tert-butylsulfanylquinazolin-7-amine
CID 65336188
4-(3-methylpyrazol-1-yl)quinazolin-7-amine
CID 65336078
3,4-bis(ethenyl)aniline;ethane
CID 142131680
4-(trifluoromethyl)quinazolin-6-amine
CID 105466490

Frequently Asked Questions

What is the IUPAC name of 1,2,4-benzotriazin-6-amine;ethane?
The IUPAC name of 1,2,4-benzotriazin-6-amine;ethane (CID 145271265) is 1,2,4-benzotriazin-6-amine;ethane.
What is the SMILES notation for 1,2,4-benzotriazin-6-amine;ethane?
The canonical SMILES for 1,2,4-benzotriazin-6-amine;ethane is CC.Nc1ccc2nncnc2c1.
What is the InChIKey of 1,2,4-benzotriazin-6-amine;ethane?
The InChIKey is UAKMTAKXZJMRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4.C2H6/c8-5-1-2-6-7(3-5)9-4-10-11-6;1-2/h1-4H,8H2;1-2H3.
What are the key properties of 1,2,4-benzotriazin-6-amine;ethane?
1,2,4-benzotriazin-6-amine;ethane has a molecular weight of 176.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-benzotriazin-6-amine;ethane is sourced from PubChem (CID 145271265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).