trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

C17H30N4O — CID 46861982

IUPACtrans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCN(Cc1cn([C@@H]2CCCC[C@H]2O)nn1)CC1CCCCC1
InChIInChI=1S/C17H30N4O/c1-20(11-14-7-3-2-4-8-14)12-15-13-21(19-18-15)16-9-5-6-10-17(16)22/h13-14,16-17,22H,2-12H2,1H3/t16-,17-/m1/s1
InChIKeyMKHAMIMFRFFINU-IAGOWNOFSA-N
MW306.45 g/mol
LogP2.77
Rot. Bonds5

About trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (PubChem CID 46861982) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
PubChem CID46861982
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Nametrans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCN(Cc1cn([C@@H]2CCCC[C@H]2O)nn1)CC1CCCCC1
InChIInChI=1S/C17H30N4O/c1-20(11-14-7-3-2-4-8-14)12-15-13-21(19-18-15)16-9-5-6-10-17(16)22/h13-14,16-17,22H,2-12H2,1H3/t16-,17-/m1/s1
InChIKeyMKHAMIMFRFFINU-IAGOWNOFSA-N
XLogP2.77
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
6-[[cyclohexylmethyl(methyl)amino]methyl]pyridin-3-ol
CID 82985897
3-[4-[(dimethylamino)methyl]triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 73134871
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine
CID 46983715
[3-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-2-hydroxypropyl] N-benzylcarbamate
CID 46863030
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (CID 46861982) is trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is CN(Cc1cn([C@@H]2CCCC[C@H]2O)nn1)CC1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The InChIKey is MKHAMIMFRFFINU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H30N4O/c1-20(11-14-7-3-2-4-8-14)12-15-13-21(19-18-15)16-9-5-6-10-17(16)22/h13-14,16-17,22H,2-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 46861982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).