1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol

C16H22N4O — CID 154772565

IUPAC1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol
SMILESCC(CC1(O)CCC1)NCc1nncn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(10-16(21)8-5-9-16)17-11-15-19-18-12-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13,17,21H,5,8-11H2,1H3
InChIKeyKKCHIGYCQMYGRY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds6

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

1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol (PubChem CID 154772565) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol
PubChem CID154772565
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol
SMILESCC(CC1(O)CCC1)NCc1nncn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(10-16(21)8-5-9-16)17-11-15-19-18-12-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13,17,21H,5,8-11H2,1H3
InChIKeyKKCHIGYCQMYGRY-UHFFFAOYSA-N
XLogP2.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-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

1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
N-[(1-methoxycyclopropyl)methyl]-1-(4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 167902441
2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111852642
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
1-butan-2-yl-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 110945178
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111722316
2-methyl-1-(4-phenylbutan-2-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111172878
2-methyl-1-(3-methylbutan-2-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111002055
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 55929885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol (CID 154772565) is 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol is CC(CC1(O)CCC1)NCc1nncn1-c1ccccc1.
What is the InChIKey of 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol?
The InChIKey is KKCHIGYCQMYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(10-16(21)8-5-9-16)17-11-15-19-18-12-20(15)14-6-3-2-4-7-14/h2-4,6-7,12-13,17,21H,5,8-11H2,1H3.
What are the key properties of 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol?
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]cyclobutan-1-ol is sourced from PubChem (CID 154772565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).