N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

C10H19N5 — CID 62438466

IUPACN-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCCC2)nn1
InChIInChI=1S/C10H19N5/c1-11-8-10-9-15(13-12-10)7-6-14-4-2-3-5-14/h9,11H,2-8H2,1H3
InChIKeyFBAFZVOGOYWIPC-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.09
Rot. Bonds5

About N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (PubChem CID 62438466) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
PubChem CID62438466
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCCC2)nn1
InChIInChI=1S/C10H19N5/c1-11-8-10-9-15(13-12-10)7-6-14-4-2-3-5-14/h9,11H,2-8H2,1H3
InChIKeyFBAFZVOGOYWIPC-UHFFFAOYSA-N
XLogP0.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
N,N-dimethyl-1-[1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]methanamine
CID 62430426
4-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)triazole
CID 62399864
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (CID 62438466) is N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is CNCc1cn(CCN2CCCC2)nn1.
What is the InChIKey of N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The InChIKey is FBAFZVOGOYWIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-11-8-10-9-15(13-12-10)7-6-14-4-2-3-5-14/h9,11H,2-8H2,1H3.
What are the key properties of N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine has a molecular weight of 209.30 g/mol, XLogP of 0.09, 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-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).