2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H26N8O — CID 169150828

IUPAC2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4cnc(C(C)(C)N)c(C)n4)C3)nc21
InChIInChI=1S/C22H26N8O/c1-11-18(22(2,3)24)25-10-15(26-11)12-8-13(9-12)19-28-20-14-6-5-7-16(31-4)17(14)27-21(23)30(20)29-19/h5-7,10,12-13H,8-9,24H2,1-4H3,(H2,23,27)
InChIKeyPQCUKKYPJOEQPP-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.82
Rot. Bonds4

About 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150828) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150828
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4cnc(C(C)(C)N)c(C)n4)C3)nc21
InChIInChI=1S/C22H26N8O/c1-11-18(22(2,3)24)25-10-15(26-11)12-8-13(9-12)19-28-20-14-6-5-7-16(31-4)17(14)27-21(23)30(20)29-19/h5-7,10,12-13H,8-9,24H2,1-4H3,(H2,23,27)
InChIKeyPQCUKKYPJOEQPP-UHFFFAOYSA-N
XLogP2.82
TPSA130.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150875
2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150911
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
3-[6-[3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclobutyl]-5-chloro-3-pyridinyl]oxetan-3-ol
CID 176734423
2-[(3R)-1-(1-tert-butylpyrazol-4-yl)pyrrolidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359079
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511061
2-[(3R,6S)-1-(1-cyclopropylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511081
2-[5-[3-[4-[3-methoxy-2-(methylideneamino)phenyl]-1,2-dihydro-1,2,3,5-tetrazin-6-yl]cyclobutyl]-3-methylpyrazin-2-yl]propan-2-amine
CID 169150739
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;3-(5-methyl-3-pyridinyl)oxetan-3-amine
CID 169150989
(1S)-1-[2-[2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopropyl]phenyl]ethanol
CID 169150889

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150828) is 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CC(c4cnc(C(C)(C)N)c(C)n4)C3)nc21.
What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is PQCUKKYPJOEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-11-18(22(2,3)24)25-10-15(26-11)12-8-13(9-12)19-28-20-14-6-5-7-16(31-4)17(14)27-21(23)30(20)29-19/h5-7,10,12-13H,8-9,24H2,1-4H3,(H2,23,27).
What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 418.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-aminopropan-2-yl)-6-methylpyrazin-2-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).