4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol

C12H16N4O — CID 102049748

IUPAC4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C12H16N4O/c17-10-4-1-8(2-5-10)13-9-3-6-11-12(7-9)15-16-14-11/h3,6-8,10,13,17H,1-2,4-5H2,(H,14,15,16)
InChIKeyJOGNISLCWWTJRO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds2

About 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol

4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol (PubChem CID 102049748) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol
PubChem CID102049748
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C12H16N4O/c17-10-4-1-8(2-5-10)13-9-3-6-11-12(7-9)15-16-14-11/h3,6-8,10,13,17H,1-2,4-5H2,(H,14,15,16)
InChIKeyJOGNISLCWWTJRO-UHFFFAOYSA-N
XLogP1.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol (CID 102049748) is 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol is OC1CCC(Nc2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol?
The InChIKey is JOGNISLCWWTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-10-4-1-8(2-5-10)13-9-3-6-11-12(7-9)15-16-14-11/h3,6-8,10,13,17H,1-2,4-5H2,(H,14,15,16).
What are the key properties of 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol?
4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-benzotriazol-5-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102049748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).