N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline

C18H23N5 — CID 97160726

IUPACN,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
SMILESC[C@H](NCCc1nnc2ccccn12)c1ccccc1N(C)C
InChIInChI=1S/C18H23N5/c1-14(15-8-4-5-9-16(15)22(2)3)19-12-11-18-21-20-17-10-6-7-13-23(17)18/h4-10,13-14,19H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyIEAVVQGZJAHACS-AWEZNQCLSA-N
MW309.42 g/mol
LogP2.69
Rot. Bonds6

About N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline

N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline (PubChem CID 97160726) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
PubChem CID97160726
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
SMILESC[C@H](NCCc1nnc2ccccn12)c1ccccc1N(C)C
InChIInChI=1S/C18H23N5/c1-14(15-8-4-5-9-16(15)22(2)3)19-12-11-18-21-20-17-10-6-7-13-23(17)18/h4-10,13-14,19H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyIEAVVQGZJAHACS-AWEZNQCLSA-N
XLogP2.69
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline with MolForge

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Related Compounds

1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195
1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203680
1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43106751
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline (CID 97160726) is N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline is C[C@H](NCCc1nnc2ccccn12)c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline?
The InChIKey is IEAVVQGZJAHACS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5/c1-14(15-8-4-5-9-16(15)22(2)3)19-12-11-18-21-20-17-10-6-7-13-23(17)18/h4-10,13-14,19H,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline?
N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline has a molecular weight of 309.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline is sourced from PubChem (CID 97160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).