N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine

C19H27N7O2S — CID 167088730

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1nnc2c1-c1nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc1CC2
InChIInChI=1S/C19H27N7O2S/c1-12(2)26-18-16(23-24-26)6-3-13-11-20-19(22-17(13)18)21-14-7-9-25(10-8-14)29(27,28)15-4-5-15/h11-12,14-15H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyRATTVJZQLHAPSM-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.78
Rot. Bonds5

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine (PubChem CID 167088730) has the molecular formula C19H27N7O2S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine
PubChem CID167088730
Molecular FormulaC19H27N7O2S
Molecular Weight417.54 g/mol
Exact Mass417.19
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine
SMILESCC(C)n1nnc2c1-c1nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc1CC2
InChIInChI=1S/C19H27N7O2S/c1-12(2)26-18-16(23-24-26)6-3-13-11-20-19(22-17(13)18)21-14-7-9-25(10-8-14)29(27,28)15-4-5-15/h11-12,14-15H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyRATTVJZQLHAPSM-UHFFFAOYSA-N
XLogP1.78
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine (CID 167088730) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine is CC(C)n1nnc2c1-c1nc(NC3CCN(S(=O)(=O)C4CC4)CC3)ncc1CC2.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine?
The InChIKey is RATTVJZQLHAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2S/c1-12(2)26-18-16(23-24-26)6-3-13-11-20-19(22-17(13)18)21-14-7-9-25(10-8-14)29(27,28)15-4-5-15/h11-12,14-15H,3-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine has a molecular weight of 417.54 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-1-propan-2-yl-4,5-dihydrotriazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 167088730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).