1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

C14H18N4 — CID 166028004

IUPAC1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCn1nc(CN2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-17-14(12-7-3-2-4-8-12)15-13(16-17)11-18-9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyQVCGFKFSPFFIHE-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.08
Rot. Bonds3

About 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (PubChem CID 166028004) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
PubChem CID166028004
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCn1nc(CN2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-17-14(12-7-3-2-4-8-12)15-13(16-17)11-18-9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyQVCGFKFSPFFIHE-UHFFFAOYSA-N
XLogP2.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929697
1-methyl-5-(4-propan-2-ylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929730
1-methyl-3-(pyrrolidin-1-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 154929674
1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
CID 154929877
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
1-benzylpyrrolidine;propane
CID 143692089
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21004110
(4S)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846046
(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846047
2-methyl-4-phenyl-3-(pyrrolidin-1-ylmethyl)isoquinolin-1-one
CID 22555926
2-(azetidin-1-ylmethyl)pyrimidine
CID 141298122

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (CID 166028004) is 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is Cn1nc(CN2CCCC2)nc1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The InChIKey is QVCGFKFSPFFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-14(12-7-3-2-4-8-12)15-13(16-17)11-18-9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole has a molecular weight of 242.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 166028004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).