N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C25H28N6 — CID 156800563

IUPACN,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1ccc2c(N(C)c3cccc(C4=CCN(C(C)C)CC4)c3)nc3nncn3c2c1
InChIInChI=1S/C25H28N6/c1-17(2)30-12-10-19(11-13-30)20-6-5-7-21(15-20)29(4)24-22-9-8-18(3)14-23(22)31-16-26-28-25(31)27-24/h5-10,14-17H,11-13H2,1-4H3
InChIKeyZEDSJEQTTXMIHK-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.85
Rot. Bonds4

About N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156800563) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156800563
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC NameN,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCc1ccc2c(N(C)c3cccc(C4=CCN(C(C)C)CC4)c3)nc3nncn3c2c1
InChIInChI=1S/C25H28N6/c1-17(2)30-12-10-19(11-13-30)20-6-5-7-21(15-20)29(4)24-22-9-8-18(3)14-23(22)31-16-26-28-25(31)27-24/h5-10,14-17H,11-13H2,1-4H3
InChIKeyZEDSJEQTTXMIHK-UHFFFAOYSA-N
XLogP4.85
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156800563) is N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is Cc1ccc2c(N(C)c3cccc(C4=CCN(C(C)C)CC4)c3)nc3nncn3c2c1.
What is the InChIKey of N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is ZEDSJEQTTXMIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-17(2)30-12-10-19(11-13-30)20-6-5-7-21(15-20)29(4)24-22-9-8-18(3)14-23(22)31-16-26-28-25(31)27-24/h5-10,14-17H,11-13H2,1-4H3.
What are the key properties of N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 412.54 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156800563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).