[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine

C13H25N5 — CID 114082090

IUPAC[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)Cn1ncnc1CN1CCC(C)(CN)C1
InChIInChI=1S/C13H25N5/c1-11(2)6-18-12(15-10-16-18)7-17-5-4-13(3,8-14)9-17/h10-11H,4-9,14H2,1-3H3
InChIKeyDTUMKUKSDFITPT-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.10
Rot. Bonds5

About [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 114082090) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID114082090
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)Cn1ncnc1CN1CCC(C)(CN)C1
InChIInChI=1S/C13H25N5/c1-11(2)6-18-12(15-10-16-18)7-17-5-4-13(3,8-14)9-17/h10-11H,4-9,14H2,1-3H3
InChIKeyDTUMKUKSDFITPT-UHFFFAOYSA-N
XLogP1.10
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 115304991
[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
CID 110009710
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 129345619
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115970091
1-[1-(aminomethyl)cycloheptyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116602254
[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120846935
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 120846989
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine (CID 114082090) is [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine is CC(C)Cn1ncnc1CN1CCC(C)(CN)C1.
What is the InChIKey of [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is DTUMKUKSDFITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)6-18-12(15-10-16-18)7-17-5-4-13(3,8-14)9-17/h10-11H,4-9,14H2,1-3H3.
What are the key properties of [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114082090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).