2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H23N9O — CID 167359135

IUPAC2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nnn(C)c4C)C3)nc21
InChIInChI=1S/C19H23N9O/c1-11-17(23-25-26(11)2)27-9-5-6-12(10-27)16-22-18-13-7-4-8-14(29-3)15(13)21-19(20)28(18)24-16/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,20,21)/t12-/m1/s1
InChIKeyILGYBRYIKQRZBQ-GFCCVEGCSA-N
MW393.46 g/mol
LogP1.69
Rot. Bonds3

About 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359135) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359135
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nnn(C)c4C)C3)nc21
InChIInChI=1S/C19H23N9O/c1-11-17(23-25-26(11)2)27-9-5-6-12(10-27)16-22-18-13-7-4-8-14(29-3)15(13)21-19(20)28(18)24-16/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,20,21)/t12-/m1/s1
InChIKeyILGYBRYIKQRZBQ-GFCCVEGCSA-N
XLogP1.69
TPSA112.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
1-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]triazol-1-yl]-2-methylpropan-2-ol
CID 167359094
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 137359945
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
CID 167359059
2-[(3R)-1-(2-cyclopropyl-3,3,3-trifluoropropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155257574
7-methoxy-2-[(3R)-1-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359063
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359135) is 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nnn(C)c4C)C3)nc21.
What is the InChIKey of 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ILGYBRYIKQRZBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N9O/c1-11-17(23-25-26(11)2)27-9-5-6-12(10-27)16-22-18-13-7-4-8-14(29-3)15(13)21-19(20)28(18)24-16/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,20,21)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 393.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).