1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole

C19H19N3O — CID 72705832

IUPAC1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1
InChIInChI=1S/C19H19N3O/c1-2-4-15(5-3-1)12-23-18-10-8-17(9-11-18)19(16-6-7-16)22-14-20-13-21-22/h1-5,8-11,13-14,16,19H,6-7,12H2
InChIKeyBOXNZAPVQCNLTH-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.86
Rot. Bonds6

About 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole

1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 72705832) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole
PubChem CID72705832
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1
InChIInChI=1S/C19H19N3O/c1-2-4-15(5-3-1)12-23-18-10-8-17(9-11-18)19(16-6-7-16)22-14-20-13-21-22/h1-5,8-11,13-14,16,19H,6-7,12H2
InChIKeyBOXNZAPVQCNLTH-UHFFFAOYSA-N
XLogP3.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole
CID 72703278
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
1-[3-(4-phenylmethoxyphenoxy)propyl]-1,2,4-triazole
CID 2199997
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
1-[4-(4-phenylmethoxyphenyl)butyl]-1,2,4-triazole
CID 22009834
1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole
CID 72702879
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole (CID 72705832) is 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole is c1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1.
What is the InChIKey of 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is BOXNZAPVQCNLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-4-15(5-3-1)12-23-18-10-8-17(9-11-18)19(16-6-7-16)22-14-20-13-21-22/h1-5,8-11,13-14,16,19H,6-7,12H2.
What are the key properties of 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole?
1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 305.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 72705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).