2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C14H25N5O — CID 131914115

IUPAC2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCn1cnnc1CN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H25N5O/c1-4-7-19-11-15-16-13(19)10-17(3)12(2)14(20)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3
InChIKeyIXWXQXMLISXTQQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.13
Rot. Bonds6

About 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 131914115) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID131914115
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCn1cnnc1CN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H25N5O/c1-4-7-19-11-15-16-13(19)10-17(3)12(2)14(20)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3
InChIKeyIXWXQXMLISXTQQ-UHFFFAOYSA-N
XLogP1.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 124751562
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
N,1-dimethyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 50954403
1-(azepan-1-yl)-2-chloro-2-(3-propylimidazol-4-yl)ethanone
CID 66130362
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 91829700
(2R)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124728057
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 131914115) is 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one is CCCn1cnnc1CN(C)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IXWXQXMLISXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-19-11-15-16-13(19)10-17(3)12(2)14(20)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 279.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 131914115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).