1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine

C15H21N5 — CID 81466455

IUPAC1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cn3cncn3)c2)CN1C
InChIInChI=1S/C15H21N5/c1-12-6-15(9-19(12)2)18-14-5-3-4-13(7-14)8-20-11-16-10-17-20/h3-5,7,10-12,15,18H,6,8-9H2,1-2H3
InChIKeyBPOJBFLWSDOFBB-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.83
Rot. Bonds4

About 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine

1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine (PubChem CID 81466455) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
PubChem CID81466455
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cn3cncn3)c2)CN1C
InChIInChI=1S/C15H21N5/c1-12-6-15(9-19(12)2)18-14-5-3-4-13(7-14)8-20-11-16-10-17-20/h3-5,7,10-12,15,18H,6,8-9H2,1-2H3
InChIKeyBPOJBFLWSDOFBB-UHFFFAOYSA-N
XLogP1.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine (CID 81466455) is 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine is CC1CC(Nc2cccc(Cn3cncn3)c2)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is BPOJBFLWSDOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-6-15(9-19(12)2)18-14-5-3-4-13(7-14)8-20-11-16-10-17-20/h3-5,7,10-12,15,18H,6,8-9H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 81466455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).