1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine

C14H19N5 — CID 55141406

IUPAC1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nc(-c2cccc(NC3CCN(C)C3)c2)n[nH]1
InChIInChI=1S/C14H19N5/c1-10-15-14(18-17-10)11-4-3-5-12(8-11)16-13-6-7-19(2)9-13/h3-5,8,13,16H,6-7,9H2,1-2H3,(H,15,17,18)
InChIKeyCNJZPTQJSCAUBX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine

1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine (PubChem CID 55141406) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine
PubChem CID55141406
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine
SMILESCc1nc(-c2cccc(NC3CCN(C)C3)c2)n[nH]1
InChIInChI=1S/C14H19N5/c1-10-15-14(18-17-10)11-4-3-5-12(8-11)16-13-6-7-19(2)9-13/h3-5,8,13,16H,6-7,9H2,1-2H3,(H,15,17,18)
InChIKeyCNJZPTQJSCAUBX-UHFFFAOYSA-N
XLogP1.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine (CID 55141406) is 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine is Cc1nc(-c2cccc(NC3CCN(C)C3)c2)n[nH]1.
What is the InChIKey of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine?
The InChIKey is CNJZPTQJSCAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-15-14(18-17-10)11-4-3-5-12(8-11)16-13-6-7-19(2)9-13/h3-5,8,13,16H,6-7,9H2,1-2H3,(H,15,17,18).
What are the key properties of 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine?
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 55141406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).