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

C17H26N6 — CID 71928259

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H26N6/c1-4-23-14(2)19-20-17(23)13-21(3)16-8-10-22(12-16)11-15-7-5-6-9-18-15/h5-7,9,16H,4,8,10-13H2,1-3H3
InChIKeyUZEOTSCJCWOZHA-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.71
Rot. Bonds6

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

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 71928259) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID71928259
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H26N6/c1-4-23-14(2)19-20-17(23)13-21(3)16-8-10-22(12-16)11-15-7-5-6-9-18-15/h5-7,9,16H,4,8,10-13H2,1-3H3
InChIKeyUZEOTSCJCWOZHA-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine (CID 71928259) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(Cc2ccccn2)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is UZEOTSCJCWOZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-4-23-14(2)19-20-17(23)13-21(3)16-8-10-22(12-16)11-15-7-5-6-9-18-15/h5-7,9,16H,4,8,10-13H2,1-3H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 314.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).