4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride

C8H15ClN4O — CID 155070218

IUPAC4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride
SMILESNC1CCC(O)(c2cn[nH]n2)CC1.[Cl-].[H+]
InChIInChI=1S/C8H14N4O.ClH/c9-6-1-3-8(13,4-2-6)7-5-10-12-11-7;/h5-6,13H,1-4,9H2,(H,10,11,12);1H
InChIKeyVJNKECOKIXGYLW-UHFFFAOYSA-N
MW218.69 g/mol
LogP-2.99
Rot. Bonds1

About 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride

4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride (PubChem CID 155070218) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride.

Molecular Properties

Compound Name4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride
PubChem CID155070218
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC Name4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride
SMILESNC1CCC(O)(c2cn[nH]n2)CC1.[Cl-].[H+]
InChIInChI=1S/C8H14N4O.ClH/c9-6-1-3-8(13,4-2-6)7-5-10-12-11-7;/h5-6,13H,1-4,9H2,(H,10,11,12);1H
InChIKeyVJNKECOKIXGYLW-UHFFFAOYSA-N
XLogP-2.99
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride?
The IUPAC name of 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride (CID 155070218) is 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride.
What is the SMILES notation for 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride?
The canonical SMILES for 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride is NC1CCC(O)(c2cn[nH]n2)CC1.[Cl-].[H+].
What is the InChIKey of 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride?
The InChIKey is VJNKECOKIXGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c9-6-1-3-8(13,4-2-6)7-5-10-12-11-7;/h5-6,13H,1-4,9H2,(H,10,11,12);1H.
What are the key properties of 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride?
4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride has a molecular weight of 218.69 g/mol, XLogP of -2.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2H-triazol-4-yl)cyclohexan-1-ol;hydron;chloride is sourced from PubChem (CID 155070218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).