N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine

C21H21N7 — CID 133281755

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1nc(-c3ccncc3)nc3ccccc13)CC2
InChIInChI=1S/C21H21N7/c1-2-18-25-19-8-7-15(13-28(19)27-18)23-21-16-5-3-4-6-17(16)24-20(26-21)14-9-11-22-12-10-14/h3-6,9-12,15H,2,7-8,13H2,1H3,(H,23,24,26)
InChIKeyZCKCMWJOECQQBI-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.27
Rot. Bonds4

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 133281755) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID133281755
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1nc(-c3ccncc3)nc3ccccc13)CC2
InChIInChI=1S/C21H21N7/c1-2-18-25-19-8-7-15(13-28(19)27-18)23-21-16-5-3-4-6-17(16)24-20(26-21)14-9-11-22-12-10-14/h3-6,9-12,15H,2,7-8,13H2,1H3,(H,23,24,26)
InChIKeyZCKCMWJOECQQBI-UHFFFAOYSA-N
XLogP3.27
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine
CID 133437607
N-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 71884718
N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 133281669
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133281716
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine
CID 124737313
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[2,3-b]pyrazin-6-amine
CID 133281727
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
tert-butyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 58919641
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294975

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 133281755) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine is CCc1nc2n(n1)CC(Nc1nc(-c3ccncc3)nc3ccccc13)CC2.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is ZCKCMWJOECQQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-2-18-25-19-8-7-15(13-28(19)27-18)23-21-16-5-3-4-6-17(16)24-20(26-21)14-9-11-22-12-10-14/h3-6,9-12,15H,2,7-8,13H2,1H3,(H,23,24,26).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 371.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 133281755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).