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

C19H30N6S — CID 10948771

IUPACN-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC(C)Sc1nc2nc3c(c(NCCN4CCCCC4)n2n1)CCCC3
InChIInChI=1S/C19H30N6S/c1-14(2)26-19-22-18-21-16-9-5-4-8-15(16)17(25(18)23-19)20-10-13-24-11-6-3-7-12-24/h14,20H,3-13H2,1-2H3
InChIKeyNUCIPMVEZQDMFJ-UHFFFAOYSA-N
MW374.56 g/mol
LogP3.40
Rot. Bonds6

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

N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 10948771) has the molecular formula C19H30N6S and a molecular weight of 374.56 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID10948771
Molecular FormulaC19H30N6S
Molecular Weight374.56 g/mol
Exact Mass374.23
IUPAC NameN-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCC(C)Sc1nc2nc3c(c(NCCN4CCCCC4)n2n1)CCCC3
InChIInChI=1S/C19H30N6S/c1-14(2)26-19-22-18-21-16-9-5-4-8-15(16)17(25(18)23-19)20-10-13-24-11-6-3-7-12-24/h14,20H,3-13H2,1-2H3
InChIKeyNUCIPMVEZQDMFJ-UHFFFAOYSA-N
XLogP3.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 10948771) is N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CC(C)Sc1nc2nc3c(c(NCCN4CCCCC4)n2n1)CCCC3.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is NUCIPMVEZQDMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6S/c1-14(2)26-19-22-18-21-16-9-5-4-8-15(16)17(25(18)23-19)20-10-13-24-11-6-3-7-12-24/h14,20H,3-13H2,1-2H3.
What are the key properties of N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 374.56 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 10948771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).