4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine

C20H20N6 — CID 133325348

IUPAC4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine
SMILESc1ccc(-c2nc(NCCCCn3cnnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H20N6/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)24-20(25-19)21-12-6-7-13-26-14-22-23-15-26/h1-5,8-11,14-15H,6-7,12-13H2,(H,21,24,25)
InChIKeyPLDRDYIWQAGTMZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.78
Rot. Bonds7

About 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine

4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine (PubChem CID 133325348) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine
PubChem CID133325348
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine
SMILESc1ccc(-c2nc(NCCCCn3cnnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H20N6/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)24-20(25-19)21-12-6-7-13-26-14-22-23-15-26/h1-5,8-11,14-15H,6-7,12-13H2,(H,21,24,25)
InChIKeyPLDRDYIWQAGTMZ-UHFFFAOYSA-N
XLogP3.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
3-[3-[(4-phenylquinazolin-2-yl)amino]propyl]imidazolidine-2,4-dione
CID 91642463
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylquinazolin-2-amine
CID 86902802
2-[2-[(4-phenylquinazolin-2-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47069004
N-[4-(1,2,4-triazol-4-yl)butyl]-1H-benzimidazol-2-amine
CID 133410530
methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
CID 75508856
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399
2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 90928861
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
3-[(6-nitro-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 6426193
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine?
The IUPAC name of 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine (CID 133325348) is 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine.
What is the SMILES notation for 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine?
The canonical SMILES for 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine is c1ccc(-c2nc(NCCCCn3cnnc3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine?
The InChIKey is PLDRDYIWQAGTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)24-20(25-19)21-12-6-7-13-26-14-22-23-15-26/h1-5,8-11,14-15H,6-7,12-13H2,(H,21,24,25).
What are the key properties of 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine?
4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-2-amine is sourced from PubChem (CID 133325348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).