6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C16H24N6 — CID 3231386

IUPAC6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC1CCc2c(nc3ncnn3c2NCCN2CCCC2)C1
InChIInChI=1S/C16H24N6/c1-12-4-5-13-14(10-12)20-16-18-11-19-22(16)15(13)17-6-9-21-7-2-3-8-21/h11-12,17H,2-10H2,1H3
InChIKeyNDPFVBLCXVTVMY-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.76
Rot. Bonds4

About 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 3231386) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID3231386
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC1CCc2c(nc3ncnn3c2NCCN2CCCC2)C1
InChIInChI=1S/C16H24N6/c1-12-4-5-13-14(10-12)20-16-18-11-19-22(16)15(13)17-6-9-21-7-2-3-8-21/h11-12,17H,2-10H2,1H3
InChIKeyNDPFVBLCXVTVMY-UHFFFAOYSA-N
XLogP1.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 3231386) is 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CC1CCc2c(nc3ncnn3c2NCCN2CCCC2)C1.
What is the InChIKey of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is NDPFVBLCXVTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-4-5-13-14(10-12)20-16-18-11-19-22(16)15(13)17-6-9-21-7-2-3-8-21/h11-12,17H,2-10H2,1H3.
What are the key properties of 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 300.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 3231386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).