1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine

C14H19N5 — CID 130949107

IUPAC1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
SMILESCC1CN(Cc2ccccc2)CC1n1cnc(N)n1
InChIInChI=1S/C14H19N5/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11)19-10-16-14(15)17-19/h2-6,10-11,13H,7-9H2,1H3,(H2,15,17)
InChIKeyXQQGTYYIDWKHPA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds3

About 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine

1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine (PubChem CID 130949107) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
PubChem CID130949107
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
SMILESCC1CN(Cc2ccccc2)CC1n1cnc(N)n1
InChIInChI=1S/C14H19N5/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11)19-10-16-14(15)17-19/h2-6,10-11,13H,7-9H2,1H3,(H2,15,17)
InChIKeyXQQGTYYIDWKHPA-UHFFFAOYSA-N
XLogP1.55
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine (CID 130949107) is 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine is CC1CN(Cc2ccccc2)CC1n1cnc(N)n1.
What is the InChIKey of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is XQQGTYYIDWKHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-7-18(8-12-5-3-2-4-6-12)9-13(11)19-10-16-14(15)17-19/h2-6,10-11,13H,7-9H2,1H3,(H2,15,17).
What are the key properties of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine?
1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130949107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).