N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine

C11H21N5 — CID 62427489

IUPACN-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCC(C)C2)nn1
InChIInChI=1S/C11H21N5/c1-10-3-4-15(8-10)5-6-16-9-11(7-12-2)13-14-16/h9-10,12H,3-8H2,1-2H3
InChIKeyBLJRATACXVLAEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.34
Rot. Bonds5

About N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 62427489) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID62427489
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCC(C)C2)nn1
InChIInChI=1S/C11H21N5/c1-10-3-4-15(8-10)5-6-16-9-11(7-12-2)13-14-16/h9-10,12H,3-8H2,1-2H3
InChIKeyBLJRATACXVLAEI-UHFFFAOYSA-N
XLogP0.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
N,N-dimethyl-1-[1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]methanamine
CID 62430426
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 81469711
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine (CID 62427489) is N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCN2CCC(C)C2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is BLJRATACXVLAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10-3-4-15(8-10)5-6-16-9-11(7-12-2)13-14-16/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62427489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).