N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

C18H26N6 — CID 71927163

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2ccncc2)C1
InChIInChI=1S/C18H26N6/c1-22(13-17-20-21-18(23(17)2)15-3-4-15)16-7-10-24(12-16)11-14-5-8-19-9-6-14/h5-6,8-9,15-16H,3-4,7,10-13H2,1-2H3
InChIKeyUVPUNUHHUOULJI-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.79
Rot. Bonds6

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 71927163) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
PubChem CID71927163
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2ccncc2)C1
InChIInChI=1S/C18H26N6/c1-22(13-17-20-21-18(23(17)2)15-3-4-15)16-7-10-24(12-16)11-14-5-8-19-9-6-14/h5-6,8-9,15-16H,3-4,7,10-13H2,1-2H3
InChIKeyUVPUNUHHUOULJI-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine (CID 71927163) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)n1C)C1CCN(Cc2ccncc2)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is UVPUNUHHUOULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-22(13-17-20-21-18(23(17)2)15-3-4-15)16-7-10-24(12-16)11-14-5-8-19-9-6-14/h5-6,8-9,15-16H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 326.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71927163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).