N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide

C20H17N7O2 — CID 156637237

IUPACN-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
SMILESCOc1cccc(-c2nc3c4ccccc4nc(NC(C)C(=O)NC#N)n3n2)c1
InChIInChI=1S/C20H17N7O2/c1-12(19(28)22-11-21)23-20-24-16-9-4-3-8-15(16)18-25-17(26-27(18)20)13-6-5-7-14(10-13)29-2/h3-10,12H,1-2H3,(H,22,28)(H,23,24)
InChIKeyRYIBEKZJTOQILY-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.35
Rot. Bonds5

About N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide

N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide (PubChem CID 156637237) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
PubChem CID156637237
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC NameN-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
SMILESCOc1cccc(-c2nc3c4ccccc4nc(NC(C)C(=O)NC#N)n3n2)c1
InChIInChI=1S/C20H17N7O2/c1-12(19(28)22-11-21)23-20-24-16-9-4-3-8-15(16)18-25-17(26-27(18)20)13-6-5-7-14(10-13)29-2/h3-10,12H,1-2H3,(H,22,28)(H,23,24)
InChIKeyRYIBEKZJTOQILY-UHFFFAOYSA-N
XLogP2.35
TPSA117.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
CID 172755951
3-[[9-fluoro-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738519
N-[2-(3-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-N'-fluoro-N'-methylmethanediamine
CID 156637211
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
7-(4-acetylpiperazin-1-yl)-5-(benzylamino)-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoline-4-carbonitrile
CID 25125544
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 53093454
2-(3-methoxyphenyl)-10-methyl-N-[(3R)-pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 175738812
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880267
N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880484
N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880428
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide?
The IUPAC name of N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide (CID 156637237) is N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide.
What is the SMILES notation for N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide?
The canonical SMILES for N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide is COc1cccc(-c2nc3c4ccccc4nc(NC(C)C(=O)NC#N)n3n2)c1.
What is the InChIKey of N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide?
The InChIKey is RYIBEKZJTOQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-12(19(28)22-11-21)23-20-24-16-9-4-3-8-15(16)18-25-17(26-27(18)20)13-6-5-7-14(10-13)29-2/h3-10,12H,1-2H3,(H,22,28)(H,23,24).
What are the key properties of N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide?
N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide has a molecular weight of 387.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide is sourced from PubChem (CID 156637237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).