1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol

C10H11N3O — CID 117281460

IUPAC1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C10H11N3O/c14-10(3-4-10)6-7-1-2-8-9(5-7)12-13-11-8/h1-2,5,14H,3-4,6H2,(H,11,12,13)
InChIKeyUALIVJZLIXPPKN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.03
Rot. Bonds2

About 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol

1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol (PubChem CID 117281460) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol
PubChem CID117281460
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C10H11N3O/c14-10(3-4-10)6-7-1-2-8-9(5-7)12-13-11-8/h1-2,5,14H,3-4,6H2,(H,11,12,13)
InChIKeyUALIVJZLIXPPKN-UHFFFAOYSA-N
XLogP1.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol (CID 117281460) is 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol is OC1(Cc2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol?
The InChIKey is UALIVJZLIXPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10(3-4-10)6-7-1-2-8-9(5-7)12-13-11-8/h1-2,5,14H,3-4,6H2,(H,11,12,13).
What are the key properties of 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol?
1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol has a molecular weight of 189.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 117281460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).