7-propan-2-yl-1,2,4-benzotriazine

C10H11N3 — CID 146184200

IUPAC7-propan-2-yl-1,2,4-benzotriazine
SMILESCC(C)c1ccc2ncnnc2c1
InChIInChI=1S/C10H11N3/c1-7(2)8-3-4-9-10(5-8)13-12-6-11-9/h3-7H,1-2H3
InChIKeyKJULFQVBAAUQKJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.15
Rot. Bonds1

About 7-propan-2-yl-1,2,4-benzotriazine

7-propan-2-yl-1,2,4-benzotriazine (PubChem CID 146184200) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name7-propan-2-yl-1,2,4-benzotriazine
PubChem CID146184200
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name7-propan-2-yl-1,2,4-benzotriazine
SMILESCC(C)c1ccc2ncnnc2c1
InChIInChI=1S/C10H11N3/c1-7(2)8-3-4-9-10(5-8)13-12-6-11-9/h3-7H,1-2H3
InChIKeyKJULFQVBAAUQKJ-UHFFFAOYSA-N
XLogP2.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-di(propan-2-yl)phenazine
CID 70800003
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
3-chloro-6-propan-2-yl-1,2,4-benzotriazine
CID 91214432
6-propan-2-yl-2-tritio-1,3-benzothiazole
CID 155790189
2-bromo-8-propan-2-ylphenazine
CID 119028481
6-propan-2-yl-1,3-benzoxazole
CID 21354846
4-(3,5-dimethylphenyl)-7-propan-2-ylquinazoline
CID 138464518
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2,9-di(propan-2-yl)pentacene
CID 153380534
(6-propan-2-ylquinoxalin-2-yl)methanethiol
CID 142320189
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289
2-iodo-7-propan-2-ylquinoline
CID 155701301

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,4-benzotriazine?
The IUPAC name of 7-propan-2-yl-1,2,4-benzotriazine (CID 146184200) is 7-propan-2-yl-1,2,4-benzotriazine.
What is the SMILES notation for 7-propan-2-yl-1,2,4-benzotriazine?
The canonical SMILES for 7-propan-2-yl-1,2,4-benzotriazine is CC(C)c1ccc2ncnnc2c1.
What is the InChIKey of 7-propan-2-yl-1,2,4-benzotriazine?
The InChIKey is KJULFQVBAAUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7(2)8-3-4-9-10(5-8)13-12-6-11-9/h3-7H,1-2H3.
What are the key properties of 7-propan-2-yl-1,2,4-benzotriazine?
7-propan-2-yl-1,2,4-benzotriazine has a molecular weight of 173.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,4-benzotriazine is sourced from PubChem (CID 146184200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).