5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine

C16H20N6 — CID 86778576

IUPAC5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NCCn3cnnc3C(C)C)c12
InChIInChI=1S/C16H20N6/c1-11(2)16-21-20-10-22(16)8-7-17-15-14-12(3)5-4-6-13(14)18-9-19-15/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyKCAASKNGURUJNX-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.77
Rot. Bonds5

About 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine

5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 86778576) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID86778576
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NCCn3cnnc3C(C)C)c12
InChIInChI=1S/C16H20N6/c1-11(2)16-21-20-10-22(16)8-7-17-15-14-12(3)5-4-6-13(14)18-9-19-15/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyKCAASKNGURUJNX-UHFFFAOYSA-N
XLogP2.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine (CID 86778576) is 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine is Cc1cccc2ncnc(NCCn3cnnc3C(C)C)c12.
What is the InChIKey of 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is KCAASKNGURUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-11(2)16-21-20-10-22(16)8-7-17-15-14-12(3)5-4-6-13(14)18-9-19-15/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine?
5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 86778576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).