1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride

C20H22ClN9O — CID 163286427

IUPAC1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
SMILESCC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5=O)cn4)nc3c21.Cl
InChIInChI=1S/C20H21N9O.ClH/c1-12(2)29-19-15(26-27-29)5-3-13-9-23-20(25-18(13)19)24-16-6-4-14(10-22-16)28-8-7-21-11-17(28)30;/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,22,23,24,25);1H
InChIKeyGSCGDKOQVARMKA-UHFFFAOYSA-N
MW439.91 g/mol
LogP2.45
Rot. Bonds4

About 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride

1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride (PubChem CID 163286427) has the molecular formula C20H22ClN9O and a molecular weight of 439.91 g/mol. Its IUPAC name is 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
PubChem CID163286427
Molecular FormulaC20H22ClN9O
Molecular Weight439.91 g/mol
Exact Mass439.16
IUPAC Name1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
SMILESCC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5=O)cn4)nc3c21.Cl
InChIInChI=1S/C20H21N9O.ClH/c1-12(2)29-19-15(26-27-29)5-3-13-9-23-20(25-18(13)19)24-16-6-4-14(10-22-16)28-8-7-21-11-17(28)30;/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,22,23,24,25);1H
InChIKeyGSCGDKOQVARMKA-UHFFFAOYSA-N
XLogP2.45
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.91
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
CID 167640890
1-[6-[[8-(4,4-difluoropiperidin-1-yl)-6-(1-hydroxyethyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 139529204
1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 139529326
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
4-[6-[[6-(1-hydroxyethyl)-8-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]-1-methyl-1,4-diazepan-5-one
CID 139529520
4-deuterio-N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine
CID 170542218
1-(6-ethyl-3-pyridinyl)piperazin-2-one
CID 139539008
ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
CID 144913210
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 167605316
1-[6-(aminomethyl)-3-pyridinyl]piperazin-2-one
CID 163672334
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride (CID 163286427) is 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride is CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5=O)cn4)nc3c21.Cl.
What is the InChIKey of 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride?
The InChIKey is GSCGDKOQVARMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O.ClH/c1-12(2)29-19-15(26-27-29)5-3-13-9-23-20(25-18(13)19)24-16-6-4-14(10-22-16)28-8-7-21-11-17(28)30;/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,22,23,24,25);1H.
What are the key properties of 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride?
1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride has a molecular weight of 439.91 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 163286427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).