2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one

C14H13N5O — CID 6498209

IUPAC2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3nc(-c4cccnc4)[nH]n13)CCCC2
InChIInChI=1S/C14H13N5O/c20-13-10-5-1-2-6-11(10)16-14-17-12(18-19(13)14)9-4-3-7-15-8-9/h3-4,7-8H,1-2,5-6H2,(H,16,17,18)
InChIKeyMUJHAMQRXNYQJP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.36
Rot. Bonds1

About 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one

2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one (PubChem CID 6498209) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
PubChem CID6498209
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3nc(-c4cccnc4)[nH]n13)CCCC2
InChIInChI=1S/C14H13N5O/c20-13-10-5-1-2-6-11(10)16-14-17-12(18-19(13)14)9-4-3-7-15-8-9/h3-4,7-8H,1-2,5-6H2,(H,16,17,18)
InChIKeyMUJHAMQRXNYQJP-UHFFFAOYSA-N
XLogP1.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one with MolForge

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Launch Full Analysis

Related Compounds

11-(phenoxymethyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 1266131
2-benzylsulfanyl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 2041235
2-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 46263249
2-pyridin-3-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 624915
2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 12023100
2-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 23610717
N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide
CID 6461169
10,23-bis(3-pyridin-3-ylphenyl)-3,16-diazahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),10,12,15,17(22),23,25-nonaene
CID 90367000
2-pyridin-3-yl-5,6,7,8-tetrahydroquinoline
CID 59083928
2-chloro-11-pyridin-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269909
2-chloro-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82093014
8-oxo-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-triene-4-carboxylic acid
CID 114514419

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one (CID 6498209) is 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one is O=c1c2c(nc3nc(-c4cccnc4)[nH]n13)CCCC2.
What is the InChIKey of 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The InChIKey is MUJHAMQRXNYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-13-10-5-1-2-6-11(10)16-14-17-12(18-19(13)14)9-4-3-7-15-8-9/h3-4,7-8H,1-2,5-6H2,(H,16,17,18).
What are the key properties of 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one has a molecular weight of 267.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 6498209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).