N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine

C20H16N8 — CID 117078370

IUPACN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCc1ncn(-c2ccc(Nc3ncc4cccc(-c5cn[nH]c5)c4n3)cc2)n1
InChIInChI=1S/C20H16N8/c1-13-22-12-28(27-13)17-7-5-16(6-8-17)25-20-21-9-14-3-2-4-18(19(14)26-20)15-10-23-24-11-15/h2-12H,1H3,(H,23,24)(H,21,25,26)
InChIKeyZEKGFHFUOGRYKP-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine

N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 117078370) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID117078370
Molecular FormulaC20H16N8
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC NameN-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCc1ncn(-c2ccc(Nc3ncc4cccc(-c5cn[nH]c5)c4n3)cc2)n1
InChIInChI=1S/C20H16N8/c1-13-22-12-28(27-13)17-7-5-16(6-8-17)25-20-21-9-14-3-2-4-18(19(14)26-20)15-10-23-24-11-15/h2-12H,1H3,(H,23,24)(H,21,25,26)
InChIKeyZEKGFHFUOGRYKP-UHFFFAOYSA-N
XLogP3.65
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-fluorophenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078407
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
8-(6-methyl-3-pyridinyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078513
N-[4-(3-tert-butyl-1,2,4-triazol-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 117078792
8-(6-methyl-3-pyridinyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 117078512
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
5-bromo-4-(1-methylpyrazol-4-yl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 117077829
3-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile
CID 140616039
2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
CID 138463296
2-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 117077311
4-(4-methylsulfonylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588103
2-[4-[methyl(sulfino)amino]anilino]-8-[4-[methyl(sulfino)amino]phenyl]quinazoline
CID 175196266

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine (CID 117078370) is N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine is Cc1ncn(-c2ccc(Nc3ncc4cccc(-c5cn[nH]c5)c4n3)cc2)n1.
What is the InChIKey of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine?
The InChIKey is ZEKGFHFUOGRYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c1-13-22-12-28(27-13)17-7-5-16(6-8-17)25-20-21-9-14-3-2-4-18(19(14)26-20)15-10-23-24-11-15/h2-12H,1H3,(H,23,24)(H,21,25,26).
What are the key properties of N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine?
N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine has a molecular weight of 368.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-(1H-pyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 117078370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).