N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C20H19N5O — CID 42864602

IUPACN-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4ccccc4nc(NCC4CC4)n23)c1
InChIInChI=1S/C20H19N5O/c1-26-15-6-4-5-14(11-15)18-23-24-19-16-7-2-3-8-17(16)22-20(25(18)19)21-12-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,22)
InChIKeyJRXACVIGUWVYIW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.78
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 42864602) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID42864602
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCOc1cccc(-c2nnc3c4ccccc4nc(NCC4CC4)n23)c1
InChIInChI=1S/C20H19N5O/c1-26-15-6-4-5-14(11-15)18-23-24-19-16-7-2-3-8-17(16)22-20(25(18)19)21-12-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,22)
InChIKeyJRXACVIGUWVYIW-UHFFFAOYSA-N
XLogP3.78
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-9-methyl-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864468
N-cyclopropyl-3-(3-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063348
cyclopentyl-[4-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46045091
1-(3-methoxyphenyl)-8-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 141464565
3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864610
(2-fluorophenyl)-[(2S)-4-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 92993731
8-chloro-3-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864408
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439
6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 110171513
N-(3-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 50815404
(2S,6R)-2,6-dimethyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 93329272
N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864660

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 42864602) is N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is COc1cccc(-c2nnc3c4ccccc4nc(NCC4CC4)n23)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is JRXACVIGUWVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-15-6-4-5-14(11-15)18-23-24-19-16-7-2-3-8-17(16)22-20(25(18)19)21-12-13-9-10-13/h2-8,11,13H,9-10,12H2,1H3,(H,21,22).
What are the key properties of N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 345.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 42864602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).