4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol

C16H24N4O — CID 111469214

IUPAC4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)ccc1-n1cncn1
InChIInChI=1S/C16H24N4O/c1-12(2)15(6-7-21)18-9-14-4-5-16(13(3)8-14)20-11-17-10-19-20/h4-5,8,10-12,15,18,21H,6-7,9H2,1-3H3
InChIKeyVKBGOXHWJZVQJJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds7

About 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol

4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol (PubChem CID 111469214) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol
PubChem CID111469214
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)ccc1-n1cncn1
InChIInChI=1S/C16H24N4O/c1-12(2)15(6-7-21)18-9-14-4-5-16(13(3)8-14)20-11-17-10-19-20/h4-5,8,10-12,15,18,21H,6-7,9H2,1-3H3
InChIKeyVKBGOXHWJZVQJJ-UHFFFAOYSA-N
XLogP2.07
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol with MolForge

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Related Compounds

1-(3-Propan-2-yloxypropyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 53517147
1-[3-(2-Methylpropoxy)propyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 53517467
1-(3-Ethoxypropyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 53517637
1-(3-Hydroxy-2,2,4-trimethylpentyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 75388675
ethyl N-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate
CID 84593467
methyl({1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl})amine
CID 4962272
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[5-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)phenyl]methylamino]butan-2-yl]acetamide
CID 58909446
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[5-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)phenyl]methylamino]butan-2-yl]acetamide
CID 68539070
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[5-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)phenyl]methylamino]butan-2-yl]acetamide
CID 72459589
3-[4-[[1-(3,5-Difluorophenyl)-1,2,4-triazol-3-yl]-hydroxyamino]-3-methylphenyl]piperidin-4-ol
CID 138684088
(3S,6S)-6-ethenyl-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,4-oxazepane
CID 138970662
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 47023351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol (CID 111469214) is 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol is Cc1cc(CNC(CCO)C(C)C)ccc1-n1cncn1.
What is the InChIKey of 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol?
The InChIKey is VKBGOXHWJZVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)15(6-7-21)18-9-14-4-5-16(13(3)8-14)20-11-17-10-19-20/h4-5,8,10-12,15,18,21H,6-7,9H2,1-3H3.
What are the key properties of 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol?
4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 111469214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).