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

C16H27N7 — CID 71928265

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C16H27N7/c1-5-23-13(2)18-19-16(23)11-21(4)14-6-8-22(10-14)12-15-17-7-9-20(15)3/h7,9,14H,5-6,8,10-12H2,1-4H3
InChIKeyTZCZZRHBYRQJJP-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.05
Rot. Bonds6

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

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928265) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928265
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C16H27N7/c1-5-23-13(2)18-19-16(23)11-21(4)14-6-8-22(10-14)12-15-17-7-9-20(15)3/h7,9,14H,5-6,8,10-12H2,1-4H3
InChIKeyTZCZZRHBYRQJJP-UHFFFAOYSA-N
XLogP1.05
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928265) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(Cc2nccn2C)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is TZCZZRHBYRQJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-5-23-13(2)18-19-16(23)11-21(4)14-6-8-22(10-14)12-15-17-7-9-20(15)3/h7,9,14H,5-6,8,10-12H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).