N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine

C20H22N10 — CID 126895943

IUPACN,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(c4cncc(-n5cncn5)n4)CC3)cc12
InChIInChI=1S/C20H22N10/c1-27(2)20-16-9-15(3-4-17(16)23-13-24-20)28-5-7-29(8-6-28)18-10-21-11-19(26-18)30-14-22-12-25-30/h3-4,9-14H,5-8H2,1-2H3
InChIKeyGTLFPCCIZFALEH-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.39
Rot. Bonds4

About N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine

N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine (PubChem CID 126895943) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine
PubChem CID126895943
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(c4cncc(-n5cncn5)n4)CC3)cc12
InChIInChI=1S/C20H22N10/c1-27(2)20-16-9-15(3-4-17(16)23-13-24-20)28-5-7-29(8-6-28)18-10-21-11-19(26-18)30-14-22-12-25-30/h3-4,9-14H,5-8H2,1-2H3
InChIKeyGTLFPCCIZFALEH-UHFFFAOYSA-N
XLogP1.39
TPSA91.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126895692
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine (CID 126895943) is N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(c4cncc(-n5cncn5)n4)CC3)cc12.
What is the InChIKey of N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine?
The InChIKey is GTLFPCCIZFALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10/c1-27(2)20-16-9-15(3-4-17(16)23-13-24-20)28-5-7-29(8-6-28)18-10-21-11-19(26-18)30-14-22-12-25-30/h3-4,9-14H,5-8H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine?
N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine has a molecular weight of 402.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 126895943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).