1-(cyclopropylmethyl)-4-methoxybenzotriazole

C11H13N3O — CID 155554782

IUPAC1-(cyclopropylmethyl)-4-methoxybenzotriazole
SMILESCOc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-3-9-11(10)12-13-14(9)7-8-5-6-8/h2-4,8H,5-7H2,1H3
InChIKeyBPENQVLGJJIIDA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.85
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methoxybenzotriazole

1-(cyclopropylmethyl)-4-methoxybenzotriazole (PubChem CID 155554782) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methoxybenzotriazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methoxybenzotriazole
PubChem CID155554782
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(cyclopropylmethyl)-4-methoxybenzotriazole
SMILESCOc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-3-9-11(10)12-13-14(9)7-8-5-6-8/h2-4,8H,5-7H2,1H3
InChIKeyBPENQVLGJJIIDA-UHFFFAOYSA-N
XLogP1.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methoxybenzotriazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-methoxybenzotriazole (CID 155554782) is 1-(cyclopropylmethyl)-4-methoxybenzotriazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methoxybenzotriazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methoxybenzotriazole is COc1cccc2c1nnn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methoxybenzotriazole?
The InChIKey is BPENQVLGJJIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-10-4-2-3-9-11(10)12-13-14(9)7-8-5-6-8/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methoxybenzotriazole?
1-(cyclopropylmethyl)-4-methoxybenzotriazole has a molecular weight of 203.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methoxybenzotriazole is sourced from PubChem (CID 155554782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).