ethane;6-methyl-1,2,4-benzotriazine

C10H13N3 — CID 145271203

IUPACethane;6-methyl-1,2,4-benzotriazine
SMILESCC.Cc1ccc2nncnc2c1
InChIInChI=1S/C8H7N3.C2H6/c1-6-2-3-7-8(4-6)9-5-10-11-7;1-2/h2-5H,1H3;1-2H3
InChIKeySPZKSFXZXCCKGX-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.36
Rot. Bonds

About ethane;6-methyl-1,2,4-benzotriazine

ethane;6-methyl-1,2,4-benzotriazine (PubChem CID 145271203) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;6-methyl-1,2,4-benzotriazine.

Molecular Properties

Compound Nameethane;6-methyl-1,2,4-benzotriazine
PubChem CID145271203
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Nameethane;6-methyl-1,2,4-benzotriazine
SMILESCC.Cc1ccc2nncnc2c1
InChIInChI=1S/C8H7N3.C2H6/c1-6-2-3-7-8(4-6)9-5-10-11-7;1-2/h2-5H,1H3;1-2H3
InChIKeySPZKSFXZXCCKGX-UHFFFAOYSA-N
XLogP2.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethylquinazoline;ethane
CID 91475450
7-propan-2-yl-1,2,4-benzotriazine
CID 146184200
7-methylpyrido[3,4-e][1,2,4]triazine
CID 155348763
2,9-dimethylbenzo[c]cinnoline
CID 14472808
2,7-dimethylacridine
CID 14490101
2,7-dimethylquinoxaline;ethane
CID 142320596
4,7-dimethylcinnoline
CID 59539244
ethane;5-methyl-2H-benzotriazole
CID 91594051
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
ethene;7-methylquinazoline
CID 145317995
5-methyl-2,1,3-benzoxadiazole
CID 519763
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,2,4-benzotriazine?
The IUPAC name of ethane;6-methyl-1,2,4-benzotriazine (CID 145271203) is ethane;6-methyl-1,2,4-benzotriazine.
What is the SMILES notation for ethane;6-methyl-1,2,4-benzotriazine?
The canonical SMILES for ethane;6-methyl-1,2,4-benzotriazine is CC.Cc1ccc2nncnc2c1.
What is the InChIKey of ethane;6-methyl-1,2,4-benzotriazine?
The InChIKey is SPZKSFXZXCCKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2H6/c1-6-2-3-7-8(4-6)9-5-10-11-7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;6-methyl-1,2,4-benzotriazine?
ethane;6-methyl-1,2,4-benzotriazine has a molecular weight of 175.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,2,4-benzotriazine is sourced from PubChem (CID 145271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).