N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H22N6O — CID 20880354

IUPACN-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)OCCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C20H22N6O/c1-14(2)27-13-5-10-22-20-23-17-7-4-3-6-16(17)19-24-18(25-26(19)20)15-8-11-21-12-9-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,22,23)
InChIKeyKXEFYCRWCSMUAH-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.57
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880354) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880354
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCC(C)OCCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C20H22N6O/c1-14(2)27-13-5-10-22-20-23-17-7-4-3-6-16(17)19-24-18(25-26(19)20)15-8-11-21-12-9-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,22,23)
InChIKeyKXEFYCRWCSMUAH-UHFFFAOYSA-N
XLogP3.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880354) is N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CC(C)OCCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is KXEFYCRWCSMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14(2)27-13-5-10-22-20-23-17-7-4-3-6-16(17)19-24-18(25-26(19)20)15-8-11-21-12-9-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,22,23).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 362.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).