(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

C14H27N5 — CID 124751562

IUPAC(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCn1cnnc1CN(C)C[C@H](C)N1CCCC1
InChIInChI=1S/C14H27N5/c1-4-7-19-12-15-16-14(19)11-17(3)10-13(2)18-8-5-6-9-18/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyGYTLCWCAPWPURW-ZDUSSCGKSA-N
MW265.40 g/mol
LogP1.60
Rot. Bonds7

About (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 124751562) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID124751562
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCn1cnnc1CN(C)C[C@H](C)N1CCCC1
InChIInChI=1S/C14H27N5/c1-4-7-19-12-15-16-14(19)11-17(3)10-13(2)18-8-5-6-9-18/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyGYTLCWCAPWPURW-ZDUSSCGKSA-N
XLogP1.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine with MolForge

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Related Compounds

2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 131914115
(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
1-(2,1,3-benzoxadiazol-4-yl)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 77090869
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 50954403
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124754878
1-(5-chloro-3-methyl-1H-indol-2-yl)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 77087625
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 124751562) is (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is CCCn1cnnc1CN(C)C[C@H](C)N1CCCC1.
What is the InChIKey of (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GYTLCWCAPWPURW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-7-19-12-15-16-14(19)11-17(3)10-13(2)18-8-5-6-9-18/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 124751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).