N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine

C15H23N5 — CID 105160457

IUPACN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1ncnn1C(C)C
InChIInChI=1S/C15H23N5/c1-12(2)20-15(18-11-19-20)10-14(16-3)8-7-13-6-4-5-9-17-13/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3
InChIKeyQCZXENSCFXCIMR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.02
Rot. Bonds7

About N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine

N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine (PubChem CID 105160457) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
PubChem CID105160457
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1ncnn1C(C)C
InChIInChI=1S/C15H23N5/c1-12(2)20-15(18-11-19-20)10-14(16-3)8-7-13-6-4-5-9-17-13/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3
InChIKeyQCZXENSCFXCIMR-UHFFFAOYSA-N
XLogP2.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105317282
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 114198061
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine (CID 105160457) is N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine is CNC(CCc1ccccn1)Cc1ncnn1C(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The InChIKey is QCZXENSCFXCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)20-15(18-11-19-20)10-14(16-3)8-7-13-6-4-5-9-17-13/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105160457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).