7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C17H18N8O — CID 169285900

IUPAC7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CC(n4cccn4)C3)nc21
InChIInChI=1S/C17H18N8O/c1-26-13-5-2-4-12-15(13)21-17(18)25-16(12)20-14(22-25)10-23-8-11(9-23)24-7-3-6-19-24/h2-7,11H,8-10H2,1H3,(H2,18,21)
InChIKeyMLUABHMEXAHNFC-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.12
Rot. Bonds4

About 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169285900) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169285900
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CC(n4cccn4)C3)nc21
InChIInChI=1S/C17H18N8O/c1-26-13-5-2-4-12-15(13)21-17(18)25-16(12)20-14(22-25)10-23-8-11(9-23)24-7-3-6-19-24/h2-7,11H,8-10H2,1H3,(H2,18,21)
InChIKeyMLUABHMEXAHNFC-UHFFFAOYSA-N
XLogP1.12
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[4-(4-fluorophenyl)-3,5-dimethylpiperazin-1-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 123373427
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136
2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76900756
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268021
2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258161
7-methoxy-2-[[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 122182837
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-[[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 122182830
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
7-methoxy-N-methyl-2-[(3-pyrazin-2-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 170276256
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169285900) is 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CC(n4cccn4)C3)nc21.
What is the InChIKey of 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is MLUABHMEXAHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-26-13-5-2-4-12-15(13)21-17(18)25-16(12)20-14(22-25)10-23-8-11(9-23)24-7-3-6-19-24/h2-7,11H,8-10H2,1H3,(H2,18,21).
What are the key properties of 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 350.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169285900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).