N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride

C21H25ClN8 — CID 167640890

IUPACN-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
SMILESCC(C)n1nnc2ccc3cnc(Nc4ccc(C5CCNCC5)cn4)nc3c21.Cl
InChIInChI=1S/C21H24N8.ClH/c1-13(2)29-20-17(27-28-29)5-3-16-12-24-21(26-19(16)20)25-18-6-4-15(11-23-18)14-7-9-22-10-8-14;/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,24,25,26);1H
InChIKeyAZZJBAVLSAGSRQ-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.98
Rot. Bonds4

About N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride

N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride (PubChem CID 167640890) has the molecular formula C21H25ClN8 and a molecular weight of 424.94 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
PubChem CID167640890
Molecular FormulaC21H25ClN8
Molecular Weight424.94 g/mol
Exact Mass424.19
IUPAC NameN-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
SMILESCC(C)n1nnc2ccc3cnc(Nc4ccc(C5CCNCC5)cn4)nc3c21.Cl
InChIInChI=1S/C21H24N8.ClH/c1-13(2)29-20-17(27-28-29)5-3-16-12-24-21(26-19(16)20)25-18-6-4-15(11-23-18)14-7-9-22-10-8-14;/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,24,25,26);1H
InChIKeyAZZJBAVLSAGSRQ-UHFFFAOYSA-N
XLogP3.98
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride with MolForge

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Related Compounds

1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
CID 163286427
N,N-dimethyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 175524245
7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 137445687
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
4-deuterio-N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine
CID 170542218
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine
CID 155036428
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 167605316
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyridin-2-amine;hydrochloride
CID 159384528
4-fluoro-5-(1H-indazol-6-yl)-N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yl-2H-pyrimidin-2-amine
CID 175955857
8-[amino(propan-2-yl)amino]-2-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046293

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride?
The IUPAC name of N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride (CID 167640890) is N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride.
What is the SMILES notation for N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride?
The canonical SMILES for N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride is CC(C)n1nnc2ccc3cnc(Nc4ccc(C5CCNCC5)cn4)nc3c21.Cl.
What is the InChIKey of N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride?
The InChIKey is AZZJBAVLSAGSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8.ClH/c1-13(2)29-20-17(27-28-29)5-3-16-12-24-21(26-19(16)20)25-18-6-4-15(11-23-18)14-7-9-22-10-8-14;/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,24,25,26);1H.
What are the key properties of N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride?
N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride has a molecular weight of 424.94 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride is sourced from PubChem (CID 167640890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).