cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H28N6O2 — CID 172705766

IUPACcyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)C1CN(Cc2ccc(-c3cccc4nc(N)nn34)cc2)C1.O=C(O)C1CC1
InChIInChI=1S/C18H22N6.C4H6O2/c1-22(2)15-11-23(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17-20-18(19)21-24(16)17;5-4(6)3-1-2-3/h3-9,15H,10-12H2,1-2H3,(H2,19,21);3H,1-2H2,(H,5,6)
InChIKeyDOICJLJABAHJJS-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.21
Rot. Bonds5

About cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 172705766) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID172705766
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Namecyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)C1CN(Cc2ccc(-c3cccc4nc(N)nn34)cc2)C1.O=C(O)C1CC1
InChIInChI=1S/C18H22N6.C4H6O2/c1-22(2)15-11-23(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17-20-18(19)21-24(16)17;5-4(6)3-1-2-3/h3-9,15H,10-12H2,1-2H3,(H2,19,21);3H,1-2H2,(H,5,6)
InChIKeyDOICJLJABAHJJS-UHFFFAOYSA-N
XLogP2.21
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
CID 159857656
N-[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67331476
cyclopropane;[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90107650
N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374654
[5-[4-[[3-[acetyl(methyl)amino]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106584
1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 58374719
5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 90106702
[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate
CID 90107074
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 90107715
cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 142309841
N-[5-[4-[[3-(ethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702520
N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702521

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 172705766) is cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(C)C1CN(Cc2ccc(-c3cccc4nc(N)nn34)cc2)C1.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DOICJLJABAHJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6.C4H6O2/c1-22(2)15-11-23(12-15)10-13-6-8-14(9-7-13)16-4-3-5-17-20-18(19)21-24(16)17;5-4(6)3-1-2-3/h3-9,15H,10-12H2,1-2H3,(H2,19,21);3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 408.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 172705766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).