3-methyl-1-(3-phenylpropyl)-1,2,4-triazole

C12H15N3 — CID 58258708

IUPAC3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
SMILESCc1ncn(CCCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-11-13-10-15(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyKIIXVPNWBTZZDA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole

3-methyl-1-(3-phenylpropyl)-1,2,4-triazole (PubChem CID 58258708) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
PubChem CID58258708
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
SMILESCc1ncn(CCCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-11-13-10-15(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyKIIXVPNWBTZZDA-UHFFFAOYSA-N
XLogP2.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole (CID 58258708) is 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole is Cc1ncn(CCCc2ccccc2)n1.
What is the InChIKey of 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole?
The InChIKey is KIIXVPNWBTZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-11-13-10-15(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole?
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenylpropyl)-1,2,4-triazole is sourced from PubChem (CID 58258708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).