1-(3-phenylpropyl)triazole

C11H13N3 — CID 12811434

IUPAC1-(3-phenylpropyl)triazole
SMILESc1ccc(CCCn2ccnn2)cc1
InChIInChI=1S/C11H13N3/c1-2-5-11(6-3-1)7-4-9-14-10-8-12-13-14/h1-3,5-6,8,10H,4,7,9H2
InChIKeyPSPAPDZASMHIGZ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.91
Rot. Bonds4

About 1-(3-phenylpropyl)triazole

1-(3-phenylpropyl)triazole (PubChem CID 12811434) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(3-phenylpropyl)triazole.

Molecular Properties

Compound Name1-(3-phenylpropyl)triazole
PubChem CID12811434
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(3-phenylpropyl)triazole
SMILESc1ccc(CCCn2ccnn2)cc1
InChIInChI=1S/C11H13N3/c1-2-5-11(6-3-1)7-4-9-14-10-8-12-13-14/h1-3,5-6,8,10H,4,7,9H2
InChIKeyPSPAPDZASMHIGZ-UHFFFAOYSA-N
XLogP1.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyltriazole
CID 141250243
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
2-[4-(triazol-1-yl)butyl]phenol
CID 22715040
1-[4-(4-propan-2-yloxyphenyl)butyl]triazole
CID 170376986
4-phenyl-1-(triazol-1-yl)butan-2-ol;hydrochloride
CID 66678961
1-phenyl-3-(triazol-1-yl)propan-2-amine
CID 86262570
(2S)-1-phenyl-3-(triazol-1-yl)propan-2-amine
CID 99737538
1-[(2-methylpropan-2-yl)oxy]-4-pentylbenzene;1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]triazole
CID 159327303
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
CID 170512006
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
1-(3-phenylpropyl)-3-propan-2-ylpyrazole
CID 66014343

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)triazole?
The IUPAC name of 1-(3-phenylpropyl)triazole (CID 12811434) is 1-(3-phenylpropyl)triazole.
What is the SMILES notation for 1-(3-phenylpropyl)triazole?
The canonical SMILES for 1-(3-phenylpropyl)triazole is c1ccc(CCCn2ccnn2)cc1.
What is the InChIKey of 1-(3-phenylpropyl)triazole?
The InChIKey is PSPAPDZASMHIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-5-11(6-3-1)7-4-9-14-10-8-12-13-14/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of 1-(3-phenylpropyl)triazole?
1-(3-phenylpropyl)triazole has a molecular weight of 187.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)triazole is sourced from PubChem (CID 12811434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).