N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

C12H23N5 — CID 114223326

IUPACN-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cnnn1CC
InChIInChI=1S/C12H23N5/c1-3-7-13-9-11-6-5-8-16(11)12-10-14-15-17(12)4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyGMEJXHHVCQDOLL-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.27
Rot. Bonds6

About N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 114223326) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID114223326
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1cnnn1CC
InChIInChI=1S/C12H23N5/c1-3-7-13-9-11-6-5-8-16(11)12-10-14-15-17(12)4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyGMEJXHHVCQDOLL-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(3-ethyltriazol-4-yl)-2-methylpiperidine
CID 130908717
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 63586483
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 114223023
5-[2-(bromomethyl)pyrrolidin-1-yl]-1-methyltriazole
CID 130487103
1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62928188
5-bromo-4-[2-(propylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989732
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 102687184
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 114223326) is N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1c1cnnn1CC.
What is the InChIKey of N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is GMEJXHHVCQDOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-7-13-9-11-6-5-8-16(11)12-10-14-15-17(12)4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethyltriazol-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114223326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).