9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

C18H19N5 — CID 50800639

IUPAC9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCc1nc2nc3c(c(N4CCc5ccccc54)n2n1)CCCC3
InChIInChI=1S/C18H19N5/c1-12-19-18-20-15-8-4-3-7-14(15)17(23(18)21-12)22-11-10-13-6-2-5-9-16(13)22/h2,5-6,9H,3-4,7-8,10-11H2,1H3
InChIKeyQUUKIVBLSNVKEM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.01
Rot. Bonds1

About 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 50800639) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID50800639
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCc1nc2nc3c(c(N4CCc5ccccc54)n2n1)CCCC3
InChIInChI=1S/C18H19N5/c1-12-19-18-20-15-8-4-3-7-14(15)17(23(18)21-12)22-11-10-13-6-2-5-9-16(13)22/h2,5-6,9H,3-4,7-8,10-11H2,1H3
InChIKeyQUUKIVBLSNVKEM-UHFFFAOYSA-N
XLogP3.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline with MolForge

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Related Compounds

1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 114047648
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122264
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800751
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 50800639) is 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is Cc1nc2nc3c(c(N4CCc5ccccc54)n2n1)CCCC3.
What is the InChIKey of 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is QUUKIVBLSNVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-19-18-20-15-8-4-3-7-14(15)17(23(18)21-12)22-11-10-13-6-2-5-9-16(13)22/h2,5-6,9H,3-4,7-8,10-11H2,1H3.
What are the key properties of 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 305.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydroindol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 50800639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).